Metabolite annotation was performed using MS-DIAL based on matching experimental MS/MS spectra against public metabolite databases. Identified metabolites were assigned according to spectral similarity and database matching criteria. Unannotated features were excluded from downstream analyses.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Chromatographic separation was performed using a Thermo Easy-nLC II system equipped with a Waters C18 column (2.1 mm × 50 mm, 1.7 μm, 120 Å). The mobile phase consisted of water containing 0.1% formic acid (mobile phase A) and acetonitrile/isopropanol (1:9, v/v) containing 0.1% formic acid and 10 mM ammonium formate (mobile phase B). The flow rate was 0.3 mL/min and the injection volume was 10 μL. Metabolites were separated using a reverse-phase liquid chromatography strategy.
"],"publication":["Gut Microbial Genetic Variation Prolongs Host Healthy Longevity and Remodels Metabolome and Proteome in Drosophila Melanogaster. 10.1002/advs.202505469. PMID:41013900"],"submitter_name":["Liying Wang"],"submitter_affiliation":["Xuzhou Medical University"],"organism_part":["gut","non-gut","Whole Organism"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Metabolites were extracted using a liquid chromatography-mass spectrometry (LC-MS)-compatible extraction protocol. Samples were homogenized and extracted with organic solvent, followed by centrifugation to remove insoluble materials. The resulting supernatants were collected for LC-MS analysis. Pooled quality control samples were prepared by mixing aliquots from representative samples and were analyzed together with experimental samples for quality assessment. Blank samples were included to monitor background signals and potential contamination.
"],"organism":["Saccharomyces cerevisiae","Drosophila melanogaster"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15555"],"author":["Liying Wang. Nanjing Medical University. 1134467183@qq.com."],"data_transformation_protocol":["Raw LC-MS data were processed using MS-DIAL software (version 5.5). Peak detection, chromatographic alignment, deconvolution, and peak area extraction were performed. The generated feature matrix was exported for downstream metabolite annotation and statistical analyses.
"],"study_factor":["Treatment","Yeast strain","Tissue type","Age"],"submitter_email":["1134467183@qq.com"],"sample_collection_protocol":["Samples were collected from Saccharomyces cerevisiae and Drosophila melanogaster experimental groups. Yeast samples included the BY4743 reference strain and individual deletion strains. Drosophila samples included intestinal and non-intestinal tissues collected from flies fed with different yeast strains. Samples were collected at designated time points and immediately processed for metabolomics analysis. All samples were stored under appropriate conditions before LC-MS analysis.
"],"omics_type":["Metabolomics"],"study_design":["Metabolomics","Yeast","untargeted analysis","gut","Aging","untargeted metabolites","Thermo Easy-nLC II","Saccharomyces cerevisiae","Drosophila melanogaster","non-gut","AB SCIEX TripleTOF 6600","Whole Organism"],"curator_keywords":["Metabolomics","Yeast","untargeted analysis","gut","Aging","untargeted metabolites","Thermo Easy-nLC II","Saccharomyces cerevisiae","Drosophila melanogaster","non-gut","AB SCIEX TripleTOF 6600","Whole Organism"],"mass_spectrometry_protocol":["Mass spectrometry analysis was performed using a SCIEX TripleTOF 6600 mass spectrometer equipped with an electrospray ionization (ESI) source. Data were acquired in both positive and negative ion modes. The full scan mass range was set to m/z 50–1000. MS/MS data were acquired using a data-dependent acquisition (DDA) strategy with TOP20 precursor selection for fragmentation.
"],"metabolite_name":["w/o MS2:2-amino-4-hydroxypyrimidine-5-carboxylic acid","w/o MS2: Erucamide","w/o MS2:NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match]","w/o MS2:NCGC00380314-01_C22H27NO7_3,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-, methyl ester, (2Z,3E,5E,7E,9E)-","w/o MS2:5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione","w/o MS2:Nelfinavir","w/o MS2:Nicardipine","w/o MS2:Flavonol base + 4O, O-Hex-Hex, O-dHex","w/o MS2:N-(2-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-3-oxo-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazin-8-yl)propionamide","N-Fructosyl isoleucine","w/o MS2:(E)-6-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3,4,5,6-tetrahydro-2H-cyclopenta[d]thiazol-2-ylidene)hexanamide","w/o MS2: NCGC00384803-01!2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde","w/o MS2:heteratisine","w/o MS2: NCGC00380616-01_C28H39NO7_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-acetic acid, 3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-alpha-(1-methylethyl)-6-oxo-, (alphaS,2R,2'R,6'S,7'R,8'aS)-","w/o MS2:PURPUROGALLIN-4-CARBOXYLIC ACID","w/o MS2:Schisanhenol","w/o MS2:NCGC00380758-01!(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","w/o MS2:P57","w/o MS2: Lycopene-5,6-diol; FAB-EBEB; MS2; m/z","w/o MS2:MMV688888","w/o MS2:Proscillaridin","w/o MS2:Cimetidine","w/o MS2:2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-(2-phenylethyl)phenol","w/o MS2:NCGC00380172-01_C16H24O5_2-Naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-1,8-dihydroxy-alpha,4a,8-trimethyl-5-oxo-, methyl ester","w/o MS2:Methionine conjugated chenodeoxycholic acid","w/o MS2:Carmaphycin A enone analogue","w/o MS2:11-(3,5-disulfooxyphenyl)undecan-4-yl 3,5-dihydroxy-2-undecylbenzoate","w/o MS2:4'-METHOXYFLAVONE","w/o MS2:Rifaximin","w/o MS2:NCGC00380836-01_C19H22O6_(1R,2R,4S,5R,8R,9S,10R,11S,12S)-4,12-Dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid","w/o MS2:NCGC00385946-01_C17H22O4_(6E,10E)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl acetate","w/o MS2: O-Acetylsolasodine","w/o MS2:CHOLESTANE","Lauramidopropyl betaine","w/o MS2:Helenine","Soyasaponin Bb","w/o MS2:Cephalomannine","Chrysoeriol","w/o MS2:Cimaterol","w/o MS2:NCGC00380703-01_C29H48ClN5O8_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(3-chloro-2-hydroxypropyl)dodecahydro-5,8,9-trimethyl-6-(1-methylethyl)-3-(1-methylpropyl)-","w/o MS2:NCGC00385574-01![5-acetyloxy-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl] acetate","w/o MS2:5-Fluro-2-pyrimidone","w/o MS2:Glyceryl trioleate","w/o MS2:Clofibrate","w/o MS2:culantraramine","w/o MS2:[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-[(5,8-dihydroxy-1,4-dioxo-3-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1,4-dihydronaphthalen-2-yl)oxy]oxan-2-yl]methyl acetate","w/o MS2:Metazachlor BH 479-11","w/o MS2:N-(3,4-dimethoxyphenethyl)-1H-indole-3-carboxamide","w/o MS2:[(1S,6S,7R,10R,15S,16R,18S,19R,20R)-6-(3-Furyl)-8,9,18,19,20-pentahydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docos-16-yl]acetic acid","w/o MS2:Emodin","w/o MS2:Rutarensin","w/o MS2:(3aR,4R,5aS,6S,9aR,9bS)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one","w/o MS2:Linamarin","w/o MS2:Pethoxamid","w/o MS2:6-Azuridine","w/o MS2:Glu-Val-Phe","w/o MS2:Difloxacin","w/o MS2:Pseudoaspidin","w/o MS2:DAMP","w/o MS2:Mycophenolate mofetil (CellCept)","w/o MS2:NCGC00380128-01_C39H62O12_alpha-L-Mannopyranoside, (1beta,3alpha,8xi,9xi,14xi,25S)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-","w/o MS2:Acetaminophen glucuronide","w/o MS2:3,6-dibromo-purpurogallin","w/o MS2:NCGC00384571-01!(E)-3-(4-hydroxyphenyl)-N-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]amino]propyl]prop-2-enamide","w/o MS2:2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine","w/o MS2:Valsartan (Diovan)","w/o MS2:Panaxydiol","w/o MS2:MMV688845","w/o MS2:6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE","O-Tigloylgymnemagenin, 21-","w/o MS2:Allantoin; CE0; POJWUDADGALRAB-UHFFFAOYSA-N","w/o MS2:NCGC00385056-01_C23H32O8_Propanoic acid, 2-methyl-, [(4S)-4-(acetyloxy)-5-[4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-3-methylene-2-oxo-6-benzofuranyl]methyl ester","w/o MS2:rosmarinic acid","Acetophenazine","w/o MS2: MMV024311","w/o MS2:MMV676877","w/o MS2:Pyridoxal-5'-phosphate monohydrate","w/o MS2:4-hydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-chromen-2-one","w/o MS2:Verticillin D_130016","w/o MS2:Sphinganine-1-phosphate (C17 base)","w/o MS2:(S)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate","w/o MS2:Floridanine","w/o MS2:NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]","w/o MS2:Hosenkoside G","NCGC00385727-01_C31H40O8_(1R,5R,6R,13R,14R,16S)-6-(3-Furyl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-10-en-14-yl 2-methylpropanoate","w/o MS2: Gigantol","w/o MS2:Roccellic acid","w/o MS2:\"NCGC00160345-01!N-[2-(4-sec-Butyl-phenoxy)-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl]-acetamide\"","w/o MS2:NCGC00385847-01!1-(4-methoxyphenyl)propane-1,2-diol","Leupeptin","w/o MS2:8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid","w/o MS2:10-Acetyl-trichoderonic-acid","w/o MS2:6,18-bis(1-hydroxy-3-methylbut-2-en-1-yl)-11,22-dimethyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.0?,?.0?,??.0?,?.0??,??.0??,??]docosa-8,14(20)-diene-3,7,15,19-tetrone","w/o MS2:NCGC00169698-03!3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","w/o MS2:Glycodeoxycholic acid","w/o MS2:THEAFLAVIN DIGALLATE","w/o MS2:\"(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-((R)-5-(oxetan-3-yl)pentan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diyl diacetate\"","w/o MS2:Pesticide9_Desmedipham_C16H16N2O4_3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate","w/o MS2:Tenacigenin B, 3-O-beta-Allopyranosyl-(1??????4)-beta-oleandropyranosyl-11-O-isobutyryl-12-O-acetyl-","w/o MS2:bakuchiol","w/o MS2:Alfuzosin hydrochloride (Uroxatral)","w/o MS2:Protopseudohypericin","w/o MS2: NCGC00380598-01_C30H49N5O9_3-(3-sec-Butyl-6-isopropyl-5,8,9-trimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl)-2-methylpropanoic acid","w/o MS2:NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate [IIN-based on: CCMSLIB00000845795]","w/o MS2:2-Aminosulfonyl-benzoic acid methyl ester","w/o MS2:methyl 3-(3-(2-(2,3-dihydrobenzofuran-5-yl)ethoxy)-4-methoxyphenyl)-3-(1-(3,4-dihydroxyphenethyl)-2-hydroxy-6-methyl-4-oxo-1,4-dihydropyridin-3-yl)propanoate","w/o MS2:3,6-diphenylcyclohexane-1,2-diol","w/o MS2:Cefpodoxime?proxetil","w/o MS2:NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","w/o MS2: NCGC00385243-01_C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid","w/o MS2:T-2 tetraol","w/o MS2:2-Amino-3-methoxybenzoic acid","w/o MS2:3,4-dihydro-2,2-dimethyl-indeno[1,2-b]-pyran-5(2H)-one","w/o MS2:(2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(4-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl)-3-methylpentanamide","w/o MS2: methyl 2-(8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)acetate","w/o MS2: Crocin II","w/o MS2:Neohesperidin","w/o MS2: NCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","w/o MS2: Tetrahydrogambogic Acid","w/o MS2:2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid","w/o MS2: hyperin","w/o MS2:2-aminobenzothiazole","w/o MS2:(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-yloxy]oxane-3,4,5-triol","w/o MS2:N-((S)-10-(((S)-1-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-oxopropan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:Benzyldimethyltetradecylammonium","w/o MS2:JWH-073","w/o MS2:NCGC00179922-02!4-(carboxymethyl)-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid","w/o MS2:NCGC00165733-02!(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","w/o MS2: Propentofylline","w/o MS2: NCGC00385028-01_C15H20O5_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one, 2,2a,6,6a,7a,8,9,9a-octahydro-2a-hydroxy-1a,5,7a-trimethyl-, (1aS,2aR,6aR,7aS)-","w/o MS2: alpha-TOCHOPHERYL ACETATE","w/o MS2:NEROL","w/o MS2:NCGC00380837-01_C18H27NO5_","w/o MS2:(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol","w/o MS2:Pesticide4_Piperonyl butoxide_C19H30O5_Butacide","w/o MS2:4-chloro-N-methylaniline","w/o MS2:1,7-Dideacetoxy-1,7-Dioxo-3-Deacetylkhivorin","w/o MS2:NCGC00381332-01_C28H38N2O7_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-acetic acid, alpha-(3-amino-3-oxopropyl)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-","w/o MS2:14,16-Dianhydrogitoxigenin","w/o MS2: MENTHOL(-)","w/o MS2:harpagoside","w/o MS2:THYMIDINE 5'-MONOPHOSPHATE","w/o MS2:MMV637229","Acetylproline","w/o MS2: (3beta)-lup-20(29)-ene-3,28-diol","w/o MS2: Dehydrophytosphingosine (not validated) - 2H; PlaSMA ID-1666","w/o MS2: Pesticide3_Propoxur_C11H15NO3_Baygon","w/o MS2:Dendroamide C","w/o MS2:rhein","w/o MS2:N-Benzyloleamide","w/o MS2:\"(3R,5R,6R,7S,9S,10R,13R,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate\"","w/o MS2:Erythromycin","w/o MS2: (2R,2aR,2'R,4R,5R,5'R,6aR,8aS,8bR,9S,11aS,12bS)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-2,2a,4,5-tetraol","w/o MS2:MLS001148106-01!DEXAMETHASONE 21-ACETATE","w/o MS2:N-(2-furylmethyl)-9H-purin-6-amine","w/o MS2:IQ","w/o MS2:methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","w/o MS2:4-Methylabyssinone V","w/o MS2:methyl 1-oxo-2-(o-tolyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate","w/o MS2:BETAINE","w/o MS2: 5Alpha-Cholestanol","4-GUANIDINOBUTANOATE","(R)-4-aminoisoxazolidin-3-one","w/o MS2:Cortisone","w/o MS2:quercetin-3-O-pentoside","w/o MS2:DL-Pipecolic acid","w/o MS2:Myricetin 3,7,3',4'-tetramethyl ether","w/o MS2: Methyprylon","w/o MS2:Atomoxetine","w/o MS2:Voacamine","w/o MS2:Orthanilic acid","w/o MS2:Himeic acid B_120101","w/o MS2:Rotenone","w/o MS2:N-L-Leucyl-L-leucine","w/o MS2:Pesticide3_Isoprocarb_C11H15NO2_2-Isopropylphenyl methylcarbamate","w/o MS2: (3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl dodecanoate","w/o MS2:Picrotin","w/o MS2:Cytisine","w/o MS2:NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate","w/o MS2:\"((4R)-4-((3R,5S,7R,10S,13R,14S)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)cysteine\"","NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]","w/o MS2:NCGC00380102-01!3-hexadecyl-4-methoxy-5-methyloxolan-2-one [IIN-based on: CCMSLIB00000848515]","w/o MS2:2'-Desacetoxy austrospicatine","w/o MS2:\"3,4 DIHYDROXYMANDELATE\"","w/o MS2: 8'-Apozeaxanthinal; FAB-EBEB; MS2; m/z","w/o MS2:Butenafine HCl","w/o MS2:(2R,3R,4S,5R,6R)-2-[[7-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-6-methyloxane-3,4,5-triol","w/o MS2:Syringaresnol-4-O-beta-D-apiofuranosy","w/o MS2:5-(1,2-dithiolan-3-yl)pentanoic acid","w/o MS2:pentadecanoic acid","w/o MS2:(2S,3S,4R,5R,6S)-2-(((2aR,4S,5aS,7S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)hexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","L(+)-Arginine","w/o MS2:(R)-((2R,3S,4S,5R,6S)-6-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate","w/o MS2:7-hydroxyflavone","w/o MS2:(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-furo[2,3-e]isoindole]-6'-one","w/o MS2:Uridine-5'-monophosphate","w/o MS2:NCGC00169378-02!(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide [IIN-based: Match]","w/o MS2: NCGC00380444-01_C16H20O3_2-Naphthaleneacetic acid, 1,2,3,7,8,8a-hexahydro-8,8a-dimethyl-alpha-methylene-7-oxo-, methyl ester, (2R,8R,8aR)-","w/o MS2: MEX_222.1488_17.1","w/o MS2: Methadone","w/o MS2:PAEDEROSIDE","w/o MS2:nonacosane","w/o MS2:Khivorin","w/o MS2:Na,Na-Dimethylhistidine","w/o MS2:NCGC00347384-02_C44H68O17_(1beta,3alpha,9xi,14xi)-1-Hydroxyspirosta-5,25(27)-dien-3-yl beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-(3xi)-alpha-D-threo-pentopyranoside","w/o MS2:Cysteine conjugated cholic acid","w/o MS2: Ginsenoside Rk2","w/o MS2:(3aS,3a1S,10bR,13S)-3a-ethyl-5-(methoxycarbonyl)-1,2,3,3a,3a1,4,6,11,12,13-decahydroindolizino[8,1-cd]carbazol-13-ium iodide","w/o MS2: Campesterol","w/o MS2:[(2E,6Z,10Z)-7,11-bis(acetyloxymethyl)-3,15-dimethylhexadeca-2,6,10,14-tetraenyl] acetate","w/o MS2: Harmine","w/o MS2:Nobiletin","w/o MS2:pomiferin","w/o MS2:Chlormequat","w/o MS2:Gossypetin","w/o MS2:Catechin","w/o MS2:Wilforgine","w/o MS2:Tacrolimus","w/o MS2:DEOXYCORTICOSTERONE ACETATE","w/o MS2:Flumequine","NCGC00381364-02_C10H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-","w/o MS2:Parecoxib","w/o MS2:(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Schisandrin A","w/o MS2:7,8-Dihydrobiopterin","w/o MS2:HISTIDINOL","w/o MS2:Methylergometrine","w/o MS2:Quillaic acid","w/o MS2:Eicosanoids_LXB4_C20H32O5","w/o MS2:Rebaudioside C","w/o MS2:Serine conjugated chenodeoxycholic acid","w/o MS2:JWH-018","w/o MS2:NCGC00180676-03_C20H36O3_1-Naphthalenepentanoic acid, decahydro-2-hydroxy-beta,2,5,5,8a-pentamethyl-, (betaS,1R,2R,8aS)-","w/o MS2:Benzyl Isothiocyanate","w/o MS2:oroxindin","w/o MS2:Quinoxaline","w/o MS2:NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol","w/o MS2:(2S,3R,4S,5S,6R)-2-[4-[[(3S,4R,5S)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:4-Hydroxy-3-methoxycinnamic acid","w/o MS2: Diosgenin","w/o MS2: [5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate","w/o MS2:COLFORSIN","w/o MS2:JACAGLABROSIDE B","w/o MS2:N-lignoceroyl-5-hydroxytryptamide","w/o MS2:Vismodegib (GDC-0449)","w/o MS2:NCGC00380760-01_C17H24O7_(3beta,4alpha,8alpha)-3,4,8-Trihydroxy-12,13-epoxytrichothec-9-en-15-yl acetate","w/o MS2:NYSTATIN","w/o MS2:(3R)-N-((2S,3R)-1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-3-methyl-1-oxopentan-2-yl)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide","w/o MS2:FK-506","w/o MS2:NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide [IIN-based on: CCMSLIB00000845102]","w/o MS2:(9S,14S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol","w/o MS2:Dechlorodiploicin","w/o MS2:2-(Piperazin-1-yl)ethanamine","Praeruptorin C","w/o MS2:(2S,3R,4S,5S)-2-(((2S,3R,4S,5R)-2-(((4R,5aS,7S,9S,11aR,12aS)-3-((2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl)-4,7-dihydroxy-2a,5a,8,8-tetramethylhexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2:NCGC00384680-01_C17H24O4_Bicyclo[7.2.0]undec-4-en-3-one, 11-[(acetyloxy)methyl]-4-(hydroxymethyl)-11-methyl-8-methylene-, (1R,4Z,9S)-","Trigonelline","w/o MS2:NCGC00384871-01!2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane","w/o MS2:CORTISONE","w/o MS2:DErySphingosine","w/o MS2:quinidine","w/o MS2:oxetanabeodendroidin X","w/o MS2:Sappanone A Dimethyl Ether","w/o MS2:Sildenafil citrate","w/o MS2:NCGC00384909-01! [IIN-based on: CCMSLIB00000847492]","w/o MS2: Fexofenadine HCl","Picfeltarraenin IB","w/o MS2:[(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:NCGC00380894-01_C22H36O5_1-Naphthalenepentanoic acid, 4-(acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-beta,2,5,5,8a-pentamethyl-","w/o MS2:[(1R,5R,9S,13S)-5,9,13-trimethyltetracyclo[11.2.1.0?,??.0?,?]hexadec-14-en-5-yl]methanol","w/o MS2:oxetanabeodendroidin F","w/o MS2:C30H36O18; PlaSMA ID-3171","w/o MS2:methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate","Lidocaine-N-Oxide","w/o MS2:4-(((10R,13R)-3-((3-carboxypropanoyl)oxy)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl)methoxy)-4-oxobutanoic acid","Picfeltarraenin IV","w/o MS2: NCGC00380804-01_C31H48O10_(2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)-14,16,18,22,24,26-Hexahydroxy-2,3,27-trimethyl-28-oxooxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid","w/o MS2: Amantadine; LC-ESI-QTOF; MS2; CE","w/o MS2:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol","Pyrrole-2-carboxylic acid","w/o MS2:(1S,4aR,6aS,6bR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:Dihydromuronic acid","delta-Hydroxylysine","w/o MS2:NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848208]","w/o MS2:Dazomet","w/o MS2:NCGC00180733-02!(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one [IIN-based on: CCMSLIB00000848139]","w/o MS2:NCGC00180273-02!7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","w/o MS2:\"(3R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5R)-5,7-dihydroxyheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol\"","w/o MS2:Risperidone","w/o MS2:NCGC00385319-01!4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one","w/o MS2:NCGC00381346-01!3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one","w/o MS2:MLS002154128-01!Pivmecillinam hydrochloride32887-03-9","Gaultherin","w/o MS2:NCGC00381718-02_C15H20O2_Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS,6E,10E,11aR)-","w/o MS2:MMV085230","w/o MS2:Isocucurbitacin B","w/o MS2:Imidocarb","w/o MS2:NCGC00380512-01_C28H40O9_1(2H)-Naphthalenone, 2,7-bis(acetyloxy)-4-[(3E)-2,5-bis(acetyloxy)-3-methyl-3-penten-1-yl]octahydro-4a,8,8-trimethyl-3-methylene-","w/o MS2:Docosahexaenoic acid","w/o MS2:Yunaconitine","w/o MS2:pinolidoxin","w/o MS2: NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate","w/o MS2:methyl (2R)-2-[(1S,2R,4S,9R,10R,14S,15S,17S)-17-(acetyloxy)-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0?,?.0?,??.0?,??]octadecan-15-yl]-2-hydroxyacetate","w/o MS2:Hispiduloside","w/o MS2:NCGC00384747-01!9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one [IIN-based: Match]","w/o MS2:Zolpidem","w/o MS2:cyclo(tyrosyl-prolyl)","w/o MS2: Dodemorph","w/o MS2:NCGC00381141-01_C26H28N4O5_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)-, methyl ester","w/o MS2:(2S,3R)-2-((2S)-2-((3R)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamido)-4-methylpentanamido)-3-methylpentanoic acid","w/o MS2:NCGC00380558-01_C19H24O7_2-Propenoic acid, 2-methyl-, (3aR,4S,6R,11aR)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester","w/o MS2:Nuarimol","w/o MS2:NCGC00380913-01_C20H28O5_2(3H)-Furanone, 5-[4-[1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl]butyl]dihydro-","w/o MS2:MMV200748","w/o MS2:Coumaroyl agmatine (isomer of 1296)","w/o MS2:CHEMBL1616521","w/o MS2:Nicotinic acid","w/o MS2: LPE 18:2; PlaSMA ID-2592","w/o MS2:Phenylacetaldehyde","w/o MS2:4-Bromo-2,5-dimethoxyphenethylamine","w/o MS2: Terbutylazine-2-hydroxy; LC-ESI-ITFT; MS2; CE","w/o MS2:(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol","w/o MS2:NCGC00381241-01![2-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,6-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","LPC 16:0","w/o MS2:1-Isothiocyanato-9-(methylsulfinyl)-nonane","w/o MS2: C14H26N2O3S; PlaSMA ID-1579","w/o MS2:Rimcazole","w/o MS2:NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845803]","w/o MS2:NCGC00380661-01_C23H36O12_","w/o MS2: CocamidoprpylBetaine","w/o MS2:N,N-Dimethylaniline","w/o MS2:NCGC00347392-02!(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-4-carboxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000847909]","w/o MS2:13_-hydroxyterracinolide B","w/o MS2:NCGC00385076-01_C24H28O11_(5E)-5-[2-(beta-D-Glucopyranosyloxy)ethylidene]-4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-2-methyl-1-cyclopentene-1-carboxylic acid","w/o MS2:N8-Acetylspermidine","w/o MS2:NCGC00380740-01_C18H24O4_9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl-","w/o MS2:NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Lansoprazole","w/o MS2:cyclocarposide","w/o MS2:3,3`-dichlorobenzidine","w/o MS2:Bisucaberin","w/o MS2: glutamate conjugated chenodeoxycholic acid","w/o MS2: NCGC00380846-01![5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate","w/o MS2:Dodemorph","w/o MS2: Forsythoside E","w/o MS2:Carbazochrome sulfonate","w/o MS2:1?,3?,22?,26-tetrahydroxyfurost-25(27)-ene-1-O-?-D-arabinopyranoside-26-O-?-D-glucopyranoside","w/o MS2:BUTANAL","w/o MS2:[(1S,6S,7R)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate","w/o MS2:Catechol","w/o MS2:Sulochrin_120096","w/o MS2:Phenylethylmalonamide","w/o MS2: (Z)-9,12,13-trihydroxyoctadec-15-enoic acid","w/o MS2:Mepacrine","w/o MS2: (3S,6S,6aR,7R,7aR,8S,9R,10S,11aR,12R,13S,14R)-1-ethyl-3-(hydroxymethyl)-6,8,10,13-tetramethoxytetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-11a,12-diol","w/o MS2:Pralatrexate(Folotyn)","w/o MS2:2-[(4S,5S,5aS,9aS)-4-methoxy-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-2-yl]pentanedioic acid","w/o MS2:Tyr-Tyr-Tyr","w/o MS2:NCGC00380898-01!(2E,4E,14E)-13-hydroperoxy-1-piperidin-1-ylicosa-2,4,14-trien-1-one","w/o MS2:Canthaxanthin (Euglenanone)","w/o MS2:NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate [IIN-based: Match]","w/o MS2: ruscogenin","w/o MS2:Marein","w/o MS2:Norfludiazepam","w/o MS2:NCGC00384489-01!2-phenylfuro[2,3-h]chromen-4-one","w/o MS2:(4R,4aS,6R)-6-isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone","w/o MS2:geniposide","w/o MS2:Threonine","w/o MS2:(1-(5-Fluoropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone","w/o MS2:Phenyltetrazole","w/o MS2: Atalaphylline","w/o MS2:Carapanaubine","w/o MS2:Nonaethylene glycol","w/o MS2:C45H68O18; PlaSMA ID-3426","w/o MS2: 1-Monomyristin","w/o MS2:Tolcapone","w/o MS2:Sphinganine 1-phosphate","w/o MS2: Thalsimine","w/o MS2:Versicoside","w/o MS2: Smenospongiarine","w/o MS2:Ebastin","w/o MS2:Piceatannol","w/o MS2: N,N-Dimethyldodecylamine N-oxide","w/o MS2:CLARITHROMYCIN","w/o MS2:MLS002695913-01!1405-53-4","w/o MS2:4-((9S)-10-((E)-((2,3-dimethoxybenzyl)imino)methyl)-3,5,14-trihydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:Norgestimate","w/o MS2: zeta-Carotene; FAB-EBEB; MS2; m/z","w/o MS2:[17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-3-hydroxy-4,4,9,13,14-pentamethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate","w/o MS2:2,4,5-trimethoxybenzoic acid","4',7-Di-O-methylnaringenin","w/o MS2:NCGC00169514-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one [IIN-based on: CCMSLIB00000848859]","w/o MS2:Axitinib","w/o MS2:Trans-Cinnamic acid","w/o MS2:MMV658988","w/o MS2:\"12b-O-[deca-2Z,4E,6E-trienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol\"","w/o MS2:11-(hydroxymethyl)-2,6,6,14,19-pentamethyl-7,16,18-trioxapentacyclo[12.6.1.0?,??.0?,??.0??,??]henicosa-5(10),11-diene-3,8,15,20-tetrone","w/o MS2:NCGC00384690-01!","w/o MS2: 3,4-dimethyl-9-phenyl-7H-furo[2,3-f]chromen-7-one","w/o MS2:NCGC00168901-04_C21H23ClO5_5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl acetate","w/o MS2:Kynurenine","w/o MS2:2-thiocyanatopupukeanane [C16H25NS]","w/o MS2:anthothecol","w/o MS2:3-Aminotyrosine","w/o MS2:[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-4-acetyloxy-3-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate","w/o MS2:Dehydrophytosphingosine (not validated, isomer of 1677)","w/o MS2:flavone","w/o MS2: S4:19(P3:17/F1:2); PlaSMA ID-3168","w/o MS2:ACTINONIN","w/o MS2:S4:20(P3:18/F1:2)","w/o MS2:Ergocorninine","w/o MS2:5-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one","w/o MS2:NCGC00142613-04!5-methoxy-2-phenylchromen-4-one [IIN-based on: CCMSLIB00000847375]","w/o MS2:3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin","w/o MS2:4-[2-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]anilino]-4-oxobutanoic acid","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3-acetamidophenyl)-3-methylpentanamide","w/o MS2:AZELAIC ACID","w/o MS2:Octaethylene glycol","w/o MS2:Uracil","w/o MS2:sarcophytol B","w/o MS2:Orlistat","w/o MS2:sarcophytol A","w/o MS2:Khasianine","w/o MS2:NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845801]","D-Pantothenic acid","w/o MS2:Tramadol N-Oxide","w/o MS2:9-(4-ethylphenyl)-4-(4-methoxyphenyl)-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one","w/o MS2: N-Benzyloleamide","w/o MS2: 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol","w/o MS2:Pesticide5_Flufenacet_C14H13F4N3O2S_4'-Fluoro-N-isopropyl-2-(5-trifluoromethyl-1,3,4-thiadiazol-2-yloxy)acetanilide","w/o MS2:NCGC00381331-01_C16H26O5_Pentanoic acid, 3-methyl-, 5-hydroxy-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester","w/o MS2:val-leu-pro-val-pro-gln","w/o MS2:Amisulpride","w/o MS2: Beauverolide I","w/o MS2:Pimecrolimus","w/o MS2: Vercuronium","w/o MS2:2-[2-[(Z)-pent-2-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid","w/o MS2:Benproperine","w/o MS2: Isosakuranin","w/o MS2:Dehydrophytosphingosine (not validated, isomer of 1679)","w/o MS2: Lagochilin","w/o MS2:(1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5,14-diethyl-2,11,20,23-tetramethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.1?,??.1??,??]triacontane-3,12,21-trione","w/o MS2: N-(1-oxo-1-(3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)propan-2-yl)furan-2-carboxamide","w/o MS2:(2S,3R)-5-hydroxy-3-[(2S,3R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","w/o MS2:Amphotericin B","w/o MS2:SPERMIDINE","w/o MS2:Canescein,(3,5,11,14,19-Pentahydroxycard-20(22)-enolide,19-aldehyde, 3-O-(6-deoxy-beta-D-gulopyranoside))","w/o MS2:Mevastatin","w/o MS2:1',2'-dihydro-2',6-dihydroxyrotenone","w/o MS2:Morpholine","w/o MS2:Betulinic Acid","w/o MS2:magnolol","w/o MS2:Isoleucine","w/o MS2: linolenic acid","w/o MS2:Propoxyphene","w/o MS2:Pangamic Acid Sodium","2,6-Xylidine","Leucine","w/o MS2:4,9-dimethoxy-7-(perfluorobutyl)-5H-furo[3,2-g]chromen-5-one","w/o MS2:SH407-1","w/o MS2:7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one","w/o MS2:Benzoylhypaconine","w/o MS2:DOCOSANOL","w/o MS2: Scopularide F","w/o MS2:Ursocholanic Acid","w/o MS2:(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-28-[(3-methylphenyl)amino]-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1^{4,7}.1^{15,19}.0^{5,30}]tritriaconta-1,3,5(30),9,21,...","w/o MS2:NCGC00380942-01_C13H20O2_1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl-","w/o MS2:Inosine-5'-monophosphate","w/o MS2:Crufomate","w/o MS2:MMV688797","w/o MS2:Enniantin - NCGC00386078-01_C36H63N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tri[(2S)-2-butanyl]-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone - Pretty common in Fusarium","w/o MS2:MMV688796","w/o MS2:NCGC00385068-01!methyl 4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate","w/o MS2:NCGC00168877-02_C15H20O8_3-(4-Hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside","w/o MS2:h_88_stanozolol_4b_oh","w/o MS2:3-Amino-1,2-propanediol","w/o MS2:NCGC00380077-01!2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one","w/o MS2:Naltrexone","w/o MS2: 2,4-dihydroxyheptadec-16-enyl acetate","w/o MS2:MLS002154113-01!Nomegestrol acetate58652-20-3","w/o MS2:Carmaphycin B enone analogue","w/o MS2:1-[[(2S,3R,11bR)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one","w/o MS2:Bavachinin","w/o MS2:NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate [IIN-based: Match]","w/o MS2:Nephrosteranic acid","w/o MS2:10-methylacridone","w/o MS2:Cytochalasin B - CASMI2016 Category 1 - Challenge 3","w/o MS2:ursodeoxycholic acid","w/o MS2: NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid","w/o MS2:Hydroxyzine","w/o MS2:myricetin-3-rutinoside","w/o MS2:MMV688766","myrcene","w/o MS2: Glyceryl trimyristate","w/o MS2:MONENSIN SODIUM (monensin A is shown)","w/o MS2:NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based: Match]","w/o MS2:1H-2-benzopyran-1-one, 6,8-dihydroxy-3-methyl-","w/o MS2:1-Methylguanosine","w/o MS2:(1R,2R,4S,16R,17R,20S)-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0?,??.0?,??.0?,??.0?,??]tricosa-6(14),7,12-trien-2-yl acetate","Chasmanine","w/o MS2:MMV688775","w/o MS2:MMV688774","w/o MS2:NCGC00381187-01_C23H20N4O5_(2S,4R,9a'S)-1'-Hydroxy-2',2'-dimethyl-4-(4-oxo-3(4H)-quinazolinyl)-1',9a'-dihydro-3H-spiro[furan-2,9'-imidazo[1,2-a]indole]-3',5(2'H,4H)-dione","w/o MS2:beta-Carotene-5,6-epoxide","w/o MS2:N-Fructosyl phenylalanine","w/o MS2:7-hydroxy-4-methyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidin-2(3H)-one","w/o MS2: Peimine","w/o MS2:Conopharyngine","w/o MS2:MMV688756","w/o MS2:\"Adefovir Dipivoxil (Preveon, Hepsera)\"","w/o MS2: glycohyodeoxycholic acid","w/o MS2:Rhodotulic acid","w/o MS2:d-estradiol","w/o MS2:NCGC00385486-01_C25H34O5_2-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0~2,8~]undec-9-ene-3,5-diyl ester, (2Z,2'Z)-","w/o MS2:Fumiquinazoline H","w/o MS2:TAG(50:1)","w/o MS2:MMV688762","w/o MS2:D-ribo-Phytosphingosine","w/o MS2:Pesticide3_Chlorfluazuron_C20H9Cl3F5N3O3_Benzamide, N-[[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluoro-","w/o MS2:Nalbuphine","w/o MS2:NCGC00380110-01_C16H26O3_1-Propanone, 3-hydroxy-1-[(1R,2R,4aR,6S,8aS)-1,2,4a,5,6,7,8,8a-octahydro-2-hydroxy-1,2,6-trimethyl-1-naphthalenyl]-","w/o MS2: NCGC00385817-01!(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide","w/o MS2: 2'-Methoxyformonetin","w/o MS2:Moroidin-[QLLVWRH]","w/o MS2:(2R)-2-((2S,3R)-3-methyl-2-((7S)-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamido)pentanamido)propanoic acid","w/o MS2:Puwainaphycin C","Glycitein","w/o MS2:Demecolcine","w/o MS2:PharmaGSID_47263","w/o MS2:7',8',9',10'-Tetrahydro-beta-cryptoxanthin","w/o MS2:Germinalinine","w/o MS2:cirsimaritin","w/o MS2:Epitestosterone","w/o MS2:NCGC00380699-01!","w/o MS2:Fenoldopam","w/o MS2: ACTINONIN","w/o MS2:PharmaGSID_47261","w/o MS2:Isocitrate","w/o MS2:NCGC00169958-02![(2R,3R,4S,5R,6S)-3,5-dihydroxy-4-[(E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoyl]oxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoate","Guanosine","w/o MS2:3-Heptanone, 7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)-","w/o MS2:Enniatin A","w/o MS2:(4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl)methyl 2,3-dihydroxy-3-methylpentanoate","w/o MS2:2-(5,11-dioxoisoindolo[2,1-a]quinazolin-6(5H,6aH,11H)-yl)-N-(1H-pyrazol-4-yl)acetamide","w/o MS2:Isorosmanol","w/o MS2:8-hydroxy-6,7-dimethoxy-2H-chromen-2-one","w/o MS2:Ornibactin C4","w/o MS2:NCGC00384622-01_C34H42O14_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-5-[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,7-diyl di(3-furoate)","w/o MS2:Ornibactin C8","w/o MS2:Ornibactin C6","w/o MS2: FA 18:3+1O; PlaSMA ID-1318","w/o MS2:NCGC00096070-07!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000849019]","w/o MS2:CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE","w/o MS2: L-beta-homotyrosine-HCl","w/o MS2:NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000846078]","w/o MS2: ormosanine","w/o MS2:Satratoxin H","w/o MS2:Pyriproxyfen","w/o MS2:Satratoxin F","w/o MS2:\"(4R,E)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid\"","w/o MS2:NCGC00178573-02!2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847919]","w/o MS2: Protostemonine","w/o MS2:Propafenone","w/o MS2:2-Hydroxycinnamic acid, predominantly trans","w/o MS2:NCGC00380809-01!(6aS)-1,2,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol [IIN-based on: CCMSLIB00000845813]","w/o MS2:Oxyacanthine","w/o MS2:Methoxyfenozide","w/o MS2:Hydroxypyridin + C5H10NO or 6-Hydroxypseudooxynicotine (not validated)","w/o MS2: C18H37NO4; PlaSMA ID-1812","w/o MS2:16-Deacetylgeyerline","w/o MS2:N-Acetylglucosamine","Lysionotin","w/o MS2:Phenelzine","w/o MS2:1-Pentanone, 3-hydroxy-1,5-diphenyl-","w/o MS2:methyl (1S,4aS,7aS)-4'-[(1S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate","w/o MS2:3-Genistein-8-C-glucoside","w/o MS2:NCGC00347692-02!5,6-dibenzoyloxy-7-methoxycarbonyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000847717]","ADENOSINE 5'-MONOPHOSPHATE","w/o MS2:NCGC00385385-01_C36H56O11_1-O-[(2alpha,3beta,19alpha)-2,3,19-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose","w/o MS2:4-[(7R,11S,14S,16R)-14-[(4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0?,?.0?,?.0??,??]octadec-5-en-6-yl]-2,5-dihydrofuran-2-one","w/o MS2:ISO E Super","Cerulenin","w/o MS2:3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-7,12,16-trimethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.0?,?.0?,?.0??,??]octadecane-7-carboxylate","w/o MS2:MMV688703","(R,E)-6-acetyl-2-(1-((2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)amino)ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione","w/o MS2:(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione","w/o MS2:NCGC00347400-02_C30H42O12_1,7-Bis(4-hydroxyphenyl)-3-heptanyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","w/o MS2:Pesticide3_Bifenazate_C17H20N2O3_1-Methylethyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate","w/o MS2:METHYLTHIOADENOSINE","w/o MS2:Griseofulvin","w/o MS2:D-(+)-Fucose","w/o MS2: Scytophycin C","w/o MS2: Scytophycin D","w/o MS2: NCGC00385006-01_C25H36O2_Dicyclopenta[a,d]cycloocten-3(3aH)-one, 7-[(2Z)-1,5-dimethyl-2,4-hexadien-1-yl]-6,6a,7,8,9,9a,10,10a-octahydro-4-(hydroxymethyl)-1,9a-dimethyl-, (4E,6aS,7R,9aR,10aS)-","w/o MS2:NCGC00380883-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000847801]","w/o MS2:synephrine","w/o MS2: Chlortoluron; LC-ESI-ITFT; MS2; CE","w/o MS2:Alisol G","w/o MS2:Oroxin B","w/o MS2:Dictazoline C","w/o MS2:Dictazoline E","w/o MS2:PharmaGSID_48505","w/o MS2:Triacylglycerol 14:0-16:0-16:0","w/o MS2:\"2-(2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetamido)ethane-1-sulfonic acid\"","w/o MS2:Quercetin","w/o MS2:pipernonaline","w/o MS2:Linoleic acid","w/o MS2:ASCORBIC ACID","w/o MS2: Dihydrocapsaicin","w/o MS2:1,8-dihydroxy-3-methylanthra-9,10-quinone","w/o MS2:NCGC00386011-01_C35H44O12_(1S,2S,3aR,4S,5R,6E,10R,11S,13R,13aR)-4,10,11,13-Tetraacetoxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylene-9-oxo-2,3,3a,4,5,8,9,10,11,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-1-yl benzoate","Amantadine","w/o MS2: Isocurcumenol","w/o MS2:Neoxaline","LPC 18:1","w/o MS2:26-Deoxycimicifugoside","(3R,4R,5R,6R)-2-(((2R,3S,4S,5R)-4,5-dihydroxy-2-(((2'R,4R,5'S,6R,6aR,8aS,9S)-4-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol","w/o MS2:NCGC00347420-02_C39H65NO12_15-Hydroxyspirosolan-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","w/o MS2: Miliiamine C 20-Ac, (or positional isomer)","4-Aminobenzoic acid","w/o MS2:NCGC00180442-02!2-[(1S)-1-hydroxyethyl]-1H-quinazolin-4-one","w/o MS2:FR140423","w/o MS2:1-hydroxymidazolam","w/o MS2:Dictazoline B","w/o MS2:N-Ethyl-4-menthane-3-carboxamide","w/o MS2:L-beta-Homolysine","w/o MS2:(3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl hexadecyl carbonate","w/o MS2:NCGC00380659-01!(2E,4E,14E)-13-hydroperoxy-N-(2-methylpropyl)icosa-2,4,14-trienamide","w/o MS2:stearic acid","w/o MS2:N1-Norphysostigmine","w/o MS2:3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol","w/o MS2:C17H32N2O8; PlaSMA ID-2155","w/o MS2:RETUSIN 7-METHYL ETHER","w/o MS2:3-METHYL-2-OXINDOLE","w/o MS2:Phosphatidylethanolamine (20:1/16:1) Abbr: GPoPE","w/o MS2:2-Hydroxy-5 (6)Epoxy-Tetrahydrocaryophyllene","w/o MS2:3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one","w/o MS2:NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one","Deoxykhivorin","w/o MS2:(13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo_]trideca-2(7),3,5,10-tetraen-5-ol","w/o MS2:Ferrioxamine E [M+Fe-2H]","w/o MS2:Isohernandezine","w/o MS2: n-methyl-2,4-dihydroxy-3-phenylquinoline","w/o MS2:(2R,2'R,4a'S,6'R,8a'S)-4,6'-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[benzo[2,1-b:3,4-c']difuran-2,1'-naphthalen]-6(8H)-one","w/o MS2:NCGC00384796-01_C25H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,7R,7aS)-","w/o MS2:Camellimidazole B","Valine","w/o MS2:N-(3-Amino-4-methoxyphenyl)acetamide","C9H8O2; PlaSMA ID-95","w/o MS2:Coumaroyl agmatine (isomer of 1297)","w/o MS2:Malformin A2","w/o MS2:Limocitrin","w/o MS2:MMV019551","w/o MS2:Camellimidazole E","Secoisolariciresinol Diglucoside","N-Fructosyl isoleucine; PlaSMA ID-1496","w/o MS2:2'-Deoxyadenosine-5'-monophosphate","w/o MS2:Saquinavir","w/o MS2:Deoxykhivorin","w/o MS2: Flemiphilippinin A","w/o MS2:NCGC00385244-01!(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-piperidin-1-yltrideca-2,4,12-trien-1-one","(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-26-(piperidin-1-yl)-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl aceta...","w/o MS2:BENZYL ALCOHOL","w/o MS2:[Gln1-Val9]-moroidin-[QLLVWRAH]","w/o MS2: Lauryl diethanolamide","w/o MS2:NCGC00380986-01_C15H17NO4_","w/o MS2:Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt","w/o MS2:9-methanesulfinylnonanenitrile (isomer of 666)","w/o MS2:Thifensulfuron-methyl","w/o MS2: dihydroalbocycline","w/o MS2:3-Methylcytidine","w/o MS2: Myxalamid B","w/o MS2:Metribuzin-desamino","w/o MS2:Simazine","w/o MS2:Bicalutamide","w/o MS2: Dereplicator Identification - triol_glucoside","w/o MS2:Deoxycholic Acid","w/o MS2:Diosgenin","w/o MS2:NCGC00380308-01!methyl 2-ethyl-4-[(3R,4R,5S)-5-hydroxy-4,5-dimethyl-2-oxooxolan-3-yl]-2-methyl-3-oxobutanoate","w/o MS2:Crassicauline A","w/o MS2:Valerophenone","w/o MS2:Lancerin","w/o MS2:NETILMICIN SULFATE","w/o MS2:Fissinolide","w/o MS2:Ursonic acid","w/o MS2:Erucamide","w/o MS2:linoleic acid","w/o MS2:PRZ_M573","w/o MS2:betulin","w/o MS2:Androsterone","w/o MS2:\"2-((6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanamido)ethane-1-sulfonic acid\"","w/o MS2: Utilin","w/o MS2:Maltol","w/o MS2:NCGC00095546-02!2,4-dihydroxyheptadec-16-enyl acetate [IIN-based: Match]","w/o MS2:NCGC00347405-02!(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","w/o MS2: Sufentanil; LC-ESI-QTOF; MS2; CE","6-(1H-indol-3-ylmethyl)-9-methyl-3,15-di(propan-2-yl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone","w/o MS2: Dibucaine (Cinchocaine) HCl","w/o MS2:Sarmentoside B","w/o MS2:(7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-13,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-methylphenyl)amino]-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-2-y...","w/o MS2:11-Keto-beta-boswellic acid","w/o MS2:\"((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine\"","w/o MS2: Emetine","w/o MS2:[5-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]-2-hydroxyphenyl] 4-hydroxybenzoate","w/o MS2:Glipizide (Glucotrol)","w/o MS2:Anabaenopeptin NZ857","w/o MS2: MLS001074890-01!NU6027","w/o MS2:NCGC00385287-01_C26H40O10_2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(beta-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-","w/o MS2:Methionine propyl ester","w/o MS2:NCGC00385634-01_C16H22O9_beta-D-Glucopyranoside, 2-(1,3-benzodioxol-5-yl)-3-hydroxypropyl","w/o MS2:[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-butanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] 14-hydroxytetradecanoate","w/o MS2:Triclabendazole","w/o MS2:7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one","w/o MS2:tetradecane","w/o MS2:NCGC00091914-04!(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid","w/o MS2:NCGC00385199-01!2-[3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one","w/o MS2:Gamabufotalin","w/o MS2: [12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienyl] acetate","w/o MS2:Octhilinone","w/o MS2:NCGC00179715-03!methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based: Match]","w/o MS2:Taxuspine A","w/o MS2:beta-cyano-L-alanine","w/o MS2:Anthranilate","w/o MS2:cordycepin","w/o MS2:N-alpha-Acetyl-L-ornithine","w/o MS2:(4aR,5aS,9R)-9-ethynyl-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,9-diol","w/o MS2:Phytosphingosine-1-P","w/o MS2:Strychnine","w/o MS2:MLS000766260-01!Oxotremorine","w/o MS2: Pelletierine Hydrochloride","w/o MS2:Pesticide4_Dimoxystrobin_C19H22N2O3_(2E)-2-{2-[(2,5-Dimethylphenoxy)methyl]phenyl}-2-(methoxyimino)-N-methylacetamide","w/o MS2:(7,8-dimethoxy-2,2,3-trimethyl-2,3-dihydro-1H-benzo[d]azepin-4-yl)(3,4-dimethoxyphenyl)methanone","trans-4-Hydroxy-L-proline","w/o MS2:Topotecan","w/o MS2:indole","w/o MS2:MMV007625","w/o MS2:Cimiracemoside D","w/o MS2:(2S,4R,8S)-4,8-dihydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one","w/o MS2:2-(2,4-diiodophenyl)-4,4-dimethyl-4,5-dihydrooxazole","w/o MS2:Dihydroxy (3Alpha,12Alpha)Pregnan-20-One","w/o MS2:Phytofluene","w/o MS2:4-((9S)-3,5,14-trihydroxy-10-((E)-((1-hydroxybutan-2-yl)imino)methyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:Methiocarb-sulfoxide","w/o MS2:7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol","GUANOSINE","w/o MS2:NCGC00384981-01_C25H42O7_","w/o MS2:geraniol","w/o MS2:1-METHYLADENOSINE","w/o MS2: Eudesmin","w/o MS2: NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid","NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate","w/o MS2: galbulin","Ala-Ile","w/o MS2:Lobeline","w/o MS2:Mimosine","w/o MS2:7-Benzyloxytryptamine","w/o MS2: 2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-5H-[1,3]dioxolo[4,5-c]pyridin-4-one","w/o MS2: deoxycommendamide (putative) or in source fragment -H2O observed in AGP sample","w/o MS2: Hupehenine","w/o MS2: Arjungenin","w/o MS2:MMV020623","w/o MS2:Veratramine","w/o MS2:\"MLS000028601-01!2-[2,2-DICYCLOHEXYLETHYL]PIPERIDINE MALEATE SALT\"","w/o MS2:Apateline","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","w/o MS2:NCGC00381012-01_C26H32O9_4aH-Phenanthro[2,1-c]pyran-4a-carboxylic acid, 1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester, (4aR,4bR,10aR,12aS)-","w/o MS2:PUTRESCINE DIHYDROCHLORIDE","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-(dihexylamino)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate","w/o MS2:Rubusoside","w/o MS2:5-METHYLCYTOSINE","w/o MS2: Pesticide4_Piperonyl butoxide_C19H30O5_Butacide","w/o MS2:N-((S)-1,2,3-trimethoxy-10-(((S)-4-methyl-1-oxo-1-(4-(piperidin-1-ylsulfonyl)-1,4-diazepan-1-yl)pentan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate","w/o MS2:(8Z,8'Z)-8,8'-bis(((2,5-dimethoxyphenyl)amino)methylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione","w/o MS2:NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000845834]","w/o MS2: NCGC00384966-01_C14H22O4_3-Hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyloctahydrocyclopropa[e]inden-2(1H)-one","w/o MS2:Lauryl diethanolamide","w/o MS2:(2R)-2-Hydroxybut-3-enylglucosinolate","w/o MS2: Ganoderic Acid F","w/o MS2:5,6-dihydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2H,5H,6H,7H,8H,13H,13aH,14H,15H,16H,16bH-oxacyclododeca[3,2-e]isoindole-2,16-dione","w/o MS2:NCGC00169315-02!2-(hydroxymethyl)-6-[5-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol","Hypoxanthine","w/o MS2:Dapoxetine","w/o MS2:[1 major product ion, might result in less than ideal matching] NCGC00381274-01_C18H34O12_3-Hydroxy-3-(hydroxymethyl)-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","w/o MS2:Decanoyl-L-carnitine","1-Decanoyl-2-hydroxy-sn-glycero-3-phosphocholine","w/o MS2:21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0?,??.0?,?.0??,??]docosa-3(11),4,9-triene-8,17-dione","w/o MS2:NCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000845831]","w/o MS2:NCGC00380758-01!(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000848325]","w/o MS2:\"(2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid\"","w/o MS2:Pesticide4_Tebufenozide_C22H28N2O2_Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide","w/o MS2:Histidylserine","w/o MS2:microcolin D (desacetylmicrocolin A)","w/o MS2:[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[3,7,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-5-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate","w/o MS2:[(2R,3S,4S,5R,6S)-6-(3,4-dihydroxybenzoyl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4-dihydroxybenzoate","L-Prolyl-L-isoleucine","w/o MS2:Irigenol","w/o MS2: Nervonic Acid","w/o MS2:1-Pyrenemethanol","w/o MS2: 2-(5-methoxy-4,8,8-trimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-3-yl)-N-(pyridin-2-yl)acetamide","w/o MS2: Ebselen","w/o MS2: sodium (2R)-2-((2R,5S,6R)-6-((3E,5E)-6-((3aR,4S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)hexa-3,5-dien-3-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoate","w/o MS2: (3beta)-stigmast-5-en-3-ol","11-Oxomogroside IIIE","w/o MS2:Cyflufenamide","w/o MS2:h_155_methasterone_m","w/o MS2:NCGC00247500-02!(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide","w/o MS2:6,7-dimethoxy-1-phenyl-3,4-dihydro-isoquinoline","w/o MS2:Bufalin","w/o MS2:(10R,13S)-17-((Z)-5,5-diphenylpenta-2,4-dien-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol","w/o MS2:4-hydroxy-3-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoic acid","w/o MS2:4-(Dimethylamino)pyridine","w/o MS2:\"((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)-L-aspartic acid\"","w/o MS2:beta-amyrin-H2O","w/o MS2:cyclopeptine","w/o MS2:Perseitol","w/o MS2:Remacemide","w/o MS2:Dereplicator Identification - triol_glucoside","w/o MS2:Kukoamine A","w/o MS2:Kukoamine B","Melibiose","w/o MS2:\"(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid\"","w/o MS2:5-AMINOLEVULINATE","w/o MS2:(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,10R,12R,13R,14R,17S)-12-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Sisomicin","w/o MS2:5,7-dihydroxy-3,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one","w/o MS2: Hydroxybutorphanol; LC-ESI-QTOF; MS2; CE","w/o MS2:Verapamil","w/o MS2:Arctigenin 4'-O-beta-gen","w/o MS2: 10-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:Darutigenol","Aconitine","w/o MS2:Deoxysappanone B 7,3'-Dimethyl Ether","w/o MS2:NCGC00180087-02!5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based on: CCMSLIB00000846526]","w/o MS2:5-[(3S,8R,10R,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one","w/o MS2:Alliin","w/o MS2: Muurolladie-3-One","w/o MS2:NCGC00385436-01!","w/o MS2:Flavone base + 3O, 1MeO, O-HexA-FeruloylHexA","w/o MS2:Cefixime","w/o MS2:cyclic 3,17-bis(1,2-ethanediyl acetal) estra-5(10),9(11)- diene-3,17-dione","w/o MS2:neoandrographolide","w/o MS2: Cimiracemoside D","w/o MS2:bilobol","w/o MS2:(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol","w/o MS2:NCGC00385763-01!(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based on: CCMSLIB00000847853]","w/o MS2:SMZ-PtO","w/o MS2:NCGC00380810-01! [IIN-based on: CCMSLIB00000845629]","w/o MS2:Tunicamycin V NCGC00180102-02!(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide","w/o MS2:Methyldopa","w/o MS2:4-(1H-indol-3-yl)butan-2-one","w/o MS2:Koumine","w/o MS2:NCGC00385912-01_C15H22O3_3-Cycloheptene-1-acetic acid, 5-methyl-alpha-methylene-4-(3-oxobutyl)-, (1R,5S)-","w/o MS2:[Ala9-Ala10]-moroidin","w/o MS2:taccalonolide A","w/o MS2:taccalonolide B","w/o MS2:Cezomycin","w/o MS2:Merochlorophaeic acid","w/o MS2: NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","w/o MS2:Pesticide4_Cyromazine_C6H10N6_Vetrazin","w/o MS2:3-(4-chlorophenyl)-5-hydroxy-10-(pyridin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione","w/o MS2:\"3,5-DIIODO-L-TYROSINE\"","w/o MS2:(E)-(3S,10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-chlorobut-2-enoate","w/o MS2:Prosulfocarb","w/o MS2:NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol","2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate","w/o MS2:NCGC00347564-02!(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione","w/o MS2: (E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one","w/o MS2:PyroglutamylIsoleucine (isomer of 1006)","Malic acid","w/o MS2:Toddalolactone","w/o MS2:Astaxanthin","w/o MS2:Malonyl coenzyme A lithium salt","w/o MS2:NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000845895]","w/o MS2:(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide","w/o MS2: Butyric acid","w/o MS2:(9Z)-9-octadecenoic acid","w/o MS2:MLS002153420-01!Pregnenolone sulfate sodium salt1852-38-6","w/o MS2:NCGC00169592-02_C29H46O4_3aH-Cyclopenta[a]chrysene-3a-carboxylic acid, 1-acetyleicosahydro-9-hydroxy-5a,5b,8,8,11a-pentamethyl-, (1R,3aS,5aR,5bR,9S,11aR)-","w/o MS2:Atractylon","w/o MS2:4`-Aminoacetanilide","Theanine","w/o MS2:XLR11 N-(4-HYDROXYPENTYL)","w/o MS2:Hypaconitine","w/o MS2: MLS001333730-01!","w/o MS2:Dextrorphan-d3","w/o MS2:MLS000863641-01!","w/o MS2:PyroglutamylIsoleucine (isomer of 1005)","w/o MS2:(all-E)-Lutein","w/o MS2:4-Hydroxy-6-Methylpyran-2-One","w/o MS2: MMV024397","w/o MS2:(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00385283-01_C21H28O9_1-O-{[(3aS,6Z,10E,11aR)-10-Methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]carbonyl}-beta-D-glucopyranose","w/o MS2:\"(6R)-6-((3S,5S,9S,10S,13S,14S,17R)-3-acetoxy-10,13-dimethyl-7,16-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptyl acetate\"","(9Z,12Z)-N-(3-Methoxybenzyl)octadeca-9,12-dienamide","w/o MS2:Penitrem A_120257","w/o MS2:Roquefortine L","w/o MS2:Roquefortine M","Benzoylmesaconine","w/o MS2:Dehydro fucoxanthin acetate","w/o MS2:Limonin","Gly-Tyr","w/o MS2:2-((10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 4-((2-(4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl)ethyl)amino)-4-oxobutanoate","w/o MS2:DUARTIN (-)","w/o MS2:Roquefortine C","w/o MS2:N-acetylneuraminic acid","w/o MS2:3,4-Methylenedioxyethamphetamine","w/o MS2:L-citrulline","w/o MS2:NCGC00178646-02!2,4-dihydroxyheptadecyl acetate","w/o MS2:Irigenin Trimethyl Ether","w/o MS2:(2R,3R,4R,5R)-2-(((1S,6aR,7aS,9aR,10R,12R,13S,14aR,15aS)-1-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethyloctadecahydro-1H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2:Cholestanol","w/o MS2:1-Methyl-2-pyridinium aldoxime","w/o MS2:Nalidixic acid (NegGram)","w/o MS2:[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-6-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate","S-Lactoylglutathione","w/o MS2:Teraspiridole C_130091","w/o MS2:2-QUINOLINECARBOXYLATE","w/o MS2:Adenosine triphosphate","tomatidine","w/o MS2:(all-E)-beta-Carotene","w/o MS2:L-Glutamic acid","w/o MS2:cephalochromin","w/o MS2:(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one","w/o MS2:Vincadifformine","w/o MS2:Loratadine","w/o MS2: NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","w/o MS2:Anserine","w/o MS2:Kushenol I","w/o MS2:1-((S)-2-((S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)propanoyl)piperidine-4-carboxylic acid","w/o MS2:(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","w/o MS2: 3,4-dihydro-papaveraldine","w/o MS2:4'-O-(Glucuronyl-(1-3)-2'-E-Feruloyl-O-glucuronyl)-(1-2)-glucuronyl Apigenin (NMR)","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-26-[4-(pyridin-2-yl)piperazin-1-yl]-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-hep...","w/o MS2:ANILINE-2-SULFONATE","ISOLEUCINE","w/o MS2:Flutriafol","(Z)-9,12,13-trihydroxyoctadec-15-enoic acid","w/o MS2:Rizinsan A","w/o MS2:9,13-Dimethyl-17-oxo-14-(5-oxo-2,5-dihydro-3-furanyl)tetracyclo[11.3.1.01,10.04,9]heptadec-6-yl ?-D-glucopyranosyl-(1->6)-?-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranosi de","L-Histidine","w/o MS2: (Z)-2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methylene)-9-(5-phenylfuran-2-yl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:NCGC00385757-01_C35H46O11_3aH-Cyclopentacyclododecene-1,3a,4,9,10,11-hexol, 1,2,3,4,5,8,9,10,11,13a-decahydro-2,5,8,8,12-pentamethyl-, 3a,4,9,10-tetraacetate 1-benzoate, (6E,12Z)-","w/o MS2:CAFFEATE","w/o MS2:Thiamine","4-((17S)-3-(((2R,4S,6R)-5-(((4S,6R)-5-(((4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-12,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:HISTIDINE","w/o MS2:N-(1,2,3-trimethoxy-10-((3-methyl-1-oxo-1-thiomorpholinobutan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2: METHYL OCTADECANOATE","ethyl 4-[(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-13-(acetyloxy)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1^{4,7}.1^{15,19}.0^{5,30}]tritriaconta-1,3,5(30),9,21,23,...","w/o MS2:NCGC00180209-02!4-methoxy-3-methylsulfanyl-2-(nitrosomethylidene)-6-pyridin-2-yl-1H-pyridine [IIN-based on: CCMSLIB00000848991]","w/o MS2:(2R)-tert-butyl 2-(2-((2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxamido)-3-methylbutanamido)-4-methylpentanoate","w/o MS2:ACETOACETATE","w/o MS2:arborinine","w/o MS2:5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one","w/o MS2: [6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate","4-((9S)-3,5,14-trihydroxy-10-((E)-((1-hydroxybutan-2-yl)imino)methyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:3,5-Dibromo-L-tyrosine hydrate","5-Carboline","w/o MS2:3-Deoxycaryoptinol","Arginine","w/o MS2:Phloretin + C-Hex, C-Hex","w/o MS2:Lotusine","w/o MS2:(E)-5-hydroxy-N-[3-[5-[3-[[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide","w/o MS2:Aesculin","w/o MS2:Hematoporphyrin_I","w/o MS2:(8Z,8'Z)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis(((4-((E)-p-tolyldiazenyl)phenyl)amino)methylene)-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione","w/o MS2:4-[[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione","w/o MS2:1-(4-methoxyphenyl)isoquinoline","w/o MS2:Terbuthylazine-TP CSAA036479 (LM2)","w/o MS2:6-hydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2H,5H,6H,7H,8H,13H,13aH,14H,15H,16H,16bH-oxacyclododeca[3,2-e]isoindole-2,16-dione","w/o MS2:Complanatuside","w/o MS2:tigogenin","w/o MS2:Salicylanilide","w/o MS2:PYR_272.1759_11.0","w/o MS2:NCGC00381276-01_C22H34O14_Hexitol, 2,6-anhydro-, 5-[4-(beta-D-glucopyranosyloxy)-2-methylenebutanoate] 1-(4-hydroxy-2-methylenebutanoate)","Oleamide","w/o MS2:Diferuloyl putrescine","w/o MS2:Roridin A","w/o MS2:Colchicine","Ergocorninine","w/o MS2:C40H38O10; PlaSMA ID-3162","w/o MS2:glycoursodeoxycholic acid","w/o MS2:NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid","w/o MS2:coproporphyrin I","w/o MS2:Etilefrine","w/o MS2:convallatoxin","w/o MS2:NCGC00160212-01!THALICSINE","w/o MS2:Constictic acid","w/o MS2:C14H26N2O5S3; PlaSMA ID-2184","w/o MS2:1-methyl-N-(2-(nicotinamido)ethyl)-1H-indole-3-carboxamide","w/o MS2:Cilostazol","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19...","w/o MS2:[5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate","w/o MS2:(3S,4S,6aR,6bS,8R,8aR,12aS,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid","w/o MS2:2-hydroxybenzothiazole","w/o MS2:(S)-methyl 2-(2-(3-isopropyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido)-4-(methylthio)butanoate","w/o MS2:NCGC00179019-03!","w/o MS2:coronardine","w/o MS2:NCGC00180645-03!2-acetamido-3-(1H-indol-3-yl)propanoic acid","w/o MS2:NCGC00385394-01_C44H74O19_","w/o MS2:Bourgeanic acid","w/o MS2:alpha-cyano-4-hydroxycinnamic acid","w/o MS2:(Z)-2,6-dimethyl-7-(4-methyl-5-oxooxolan-2-yl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hept-5-enoic acid","w/o MS2:HECOGENIN ACETATE","w/o MS2:1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl acetate","w/o MS2:CHOLIC ACID","w/o MS2: 3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(2-fluorophenyl)propanamide","Isoastragaloside II","w/o MS2:Qingyangshengenin","w/o MS2:9-{[(2E)-3,7-dimethyl-2,6-octadienyl]oxy}-7H-furo[3,2-g]chromen-7-one","w/o MS2:1,2-dihydroxyheptadec-16-yn-4-yl acetate","Glutathione (oxidized)","w/o MS2:Convallatoxin","w/o MS2:Triptophenolide","w/o MS2:MMV676600","w/o MS2:NCGC00381199-01_C25H38O4_(3aR,5E,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy-2-propanyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one","w/o MS2:MMV676602","w/o MS2:Thuggacin A","w/o MS2:MMV676603","w/o MS2: tauroursodeoxycholic acid","w/o MS2:MMV676605","w/o MS2:(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one","beta-Nicotinamide mononucleotide","w/o MS2:1-Hydroxy-3,6,7-Trimethoxy-2,8-Diprenylxanthone","w/o MS2:NCGC00169076-02_C35H50O16_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 2-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:NCGC00380271-01_C24H40O11_2-Cyclohexen-1-one, 3,5,5-trimethyl-4-[3-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]butyl]-","w/o MS2:3,5,7,15-tetraacetoxy-2-hydroxy-8-tigloyloxy-9,14-dioxojatropha-6(17),11E-diene","w/o MS2:sn-Glycero-3-phosphocholine","w/o MS2:2-amino-10-methanesulfinyldecanoic acid","w/o MS2:NCGC00180412-02![5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","w/o MS2:\"(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol\"","w/o MS2:MLS002154021-01!Ifosfamide3778-73-2","w/o MS2:GLYCOCHOLATE","w/o MS2:\"((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)tyrosine\"","w/o MS2:1-Stearoyl-sn-glycero-3-phosphocholine","5-Aminovaleric acid betaine; CE10; CDLVFVFTRQPQFU-UHFFFAOYSA-N","w/o MS2:Asarylaldehyde","w/o MS2: beta-N-Methylaminoalanine","w/o MS2:isodolichantoside","w/o MS2:Lopinavir","w/o MS2:(2R,3R,4S,5S,6R)-2-[2-(4-methoxyphenyl)ethoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol","w/o MS2:Balofloxacin","w/o MS2:Pesticide2_Aldicarb sulfoxide_C7H14N2O3S_Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime, (1E)-","w/o MS2:Cephaeline","w/o MS2:NCGC00380638-01! [IIN-based on: CCMSLIB00000848040]","w/o MS2:Rhodoxanthin","w/o MS2:Flubendazole","w/o MS2:protopine","w/o MS2:Verticinone","w/o MS2:Moroidin-[QLLVWAGH]","w/o MS2:NCGC00160199-01!PRECOCENE II","w/o MS2:[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2:3-(1H-indol-1-yl)-1-(8-methoxy-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)propan-1-one","w/o MS2:Saikosaponin B4","w/o MS2:acetoacetyl CoA","w/o MS2:Asperphenamate analogoue with additional glycine","Tetrandrine","w/o MS2:NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate","w/o MS2:\"2-((R)-4-((3S,7R,8S,9S,10R,13R,14S,17R)-7-(((2R,3R,4S,5S,6S)-6-(acetylcarbamoyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-3-(sulfooxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid\"","w/o MS2:Rehmannioside A","w/o MS2:Frequentin","w/o MS2:Saikosaponin B2","w/o MS2:Saikosaponin B3","w/o MS2:Methadone","w/o MS2:avenanthramide D","w/o MS2:[Gln1]-moroidin","w/o MS2:5,6-Dihydro-5-methyluracil","w/o MS2:5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid","w/o MS2: Ainidiol","w/o MS2:Melibiose","w/o MS2:Tolyporphin A","w/o MS2:Kaurenic acid","w/o MS2:NCGC00180639-02!2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid","w/o MS2:NCGC00380724-01_C28H47NO8_(3R,5R,6S,7S,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-D-xylo-hexopyranoside","w/o MS2:Peonidin-3-(6''-malonylglucoside)","w/o MS2:3-((3a'S,6a'R)-5,7-dimethyl-2,4',6'-trioxo-5'-phenethyl-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanamide","w/o MS2:NCGC00380954-01_C16H22N2O3_4,6,8-Decatrienamide, 3-hydroxy-2,2,4-trimethyl-10-(5-oxazolyl)-, (3R,4Z,6Z,8E)-","w/o MS2:NCGC00381451-01!(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone","w/o MS2:Azadirachtin","w/o MS2:(5S)-17-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one","w/o MS2:Harmane","w/o MS2:[(2R,3R,4S,5S,6R)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] hexanoate","w/o MS2:3-[(3S,10S,13R)-14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2:(Z)-9,12,13-trihydroxyoctadec-15-enoic acid","w/o MS2:Nodularin","w/o MS2:Deoxynivalenol-3-glucoside","w/o MS2:harringtonine","w/o MS2:(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid","w/o MS2:NCGC00380330-01!2-(6-methyl-7-oxooctyl)-2H-furan-5-one [IIN-based on: CCMSLIB00000848756]","w/o MS2:Saponarin","w/o MS2:Dendrobine","w/o MS2:NCGC00380861-01!","Guanine","w/o MS2:Terbutylazine","w/o MS2:alpha-Codeimethine","w/o MS2:methyl 3-(3-methylbut-2-enyl)-1,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]naphthalene-2-carboxylate","w/o MS2:(2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3-methoxypropyl)-3-methyl-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)pentanamide","w/o MS2:Diphenylcyclopropenone","2,3-dihydroxypropyl stearate","w/o MS2: Luteolin 7-glucuronide","w/o MS2:Isoliquiritin apioside","w/o MS2:Koparin","w/o MS2:NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid","2-acetoxy-4-pentadecylbenzoic acid","w/o MS2:2-(2-hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one","w/o MS2: pseudolaric acid B","w/o MS2: MLS002153477-01!A-315456","w/o MS2: (E)-5-[(1S,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid","w/o MS2:Nicotinic Acid","4-((9S)-10-((E)-((2,3-dimethoxybenzyl)imino)methyl)-3,5,14-trihydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:NCGC00380124-01_C38H63NO10_Hexopyranoside, 1-[6-[dodecahydro-5-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,9b-dimethylindeno[5,4-b]pyran-7-yl]-3,4,4a,7,8,8a-hexahydro-4a-methyl-2H-1-benzopyran-2-yl]-1-methylethyl 2-(acetylamino)-2-deoxy-","w/o MS2:1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0?,?.0??,??]pentadeca-3,8-dien-14-yl (2E)-2-methylbut-2-enoate","w/o MS2:2,6-diisopropylaniline","w/o MS2:Histidine","w/o MS2:C13H19N3O; PlaSMA ID-936","w/o MS2:[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate","w/o MS2:[Val9]-moroidin","w/o MS2:Albendazole","w/o MS2: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-(2-phenylethyl)phenol","Arachidoyl Ethanolamide","w/o MS2:Oleaside A","w/o MS2:KET_M565","w/o MS2:((6aR,9R,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methanol","w/o MS2:Aluminum coprogen [M+Al-2H]","w/o MS2: ADENINE","w/o MS2:3-(benzo[d][1,3]dioxol-5-yl)-6-ethyl-7-isopropoxy-2-methyl-4H-chromen-4-one","w/o MS2:[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 2,4-dimethoxy-6-methylbenzoate","w/o MS2:Tris(1-chloro-2-propyl)phosphate","w/o MS2:Besifloxacin HCl (Besivance)","w/o MS2:(E)-3-(3-chlorobut-2-en-1-yl)-2,8-dimethylquinolin-4-ol","w/o MS2:3-METHYLADENINE","w/o MS2:Dereplicator Identification - Retinoic_acid_3,7,11,15-tetramethyl-2-he","w/o MS2:Tetrahydrocurcumin","w/o MS2:15-(carbamoylmethyl)-10,11,23-trihydroxy-18-(3-methyl-2-oxopentanamido)-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0?,?.0?,??]tetracosa-1(23),2(7),3,5,20(24),21-hexaene-12-carboxamide","w/o MS2:NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597]","w/o MS2:Miglitol","w/o MS2:MADECASSIC ACID","w/o MS2:NCGC00179841-03!3-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2: Naringenin-7-O-beta-D-glucoside","w/o MS2:monolinolein","w/o MS2:NCGC00347700-02!2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:tert-butyl (1-(2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-3-methylpentanoyl)piperidin-4-yl)carbamate","w/o MS2:NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based on: CCMSLIB00000847103]","w/o MS2:8-Benzylcanadine","1,2-Bis(p-(2-hydroxyethoxycarbonyl)benzoyloxy)ethane","w/o MS2:2-Methylbenzothiazole","w/o MS2:acetyl CoA","w/o MS2:NCGC00380628-01_C22H28O6_(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid","w/o MS2:(+)-10-epi-axisonitrile-3 [C16H25N]","w/o MS2:Thymidine-5'-triphosphate sodium salt","w/o MS2:NCGC00380562-01_C41H66O15_Pregn-5-en-20-one, 3-[[O--6-deoxyhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-11,12,14-trihydroxy-, (3beta,8xi,9xi,12beta,14beta)-","w/o MS2:Sphinganine (C17 base)","w/o MS2:NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid [IIN-based: Match]","w/o MS2:NCGC00347846-02_C30H38N2O5_(1E)-6-Hydroxy-12-(1H-indol-3-ylmethyl)-7-methoxy-4,13,13a-trimethyl-5,6,7,8,12,12a,13,13a,14a,14b-decahydro-3H-cycloundeca[d]oxireno[f]isoindole-9,10(4H,11H)-dione","w/o MS2:5,8-dimethoxyquinoline-2-carbaldehyde","w/o MS2:N-Bisdesmethyl Tramadol","w/o MS2:Metoxuron","w/o MS2:3a-[3,4-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxycarbonyl-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-5a-carboxylic acid","w/o MS2:2-(2-hydroxybut-3-en-2-yl)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-4,5-diol","NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate [IIN-based: Match]","w/o MS2:Bacillaene","w/o MS2:deoxycommendamide (putative) or in source fragment -H2O observed in AGP sample","w/o MS2:L-gamma-glutamyl-S-3-(1-oxobutyl)-L-cysteinyl-glycine","w/o MS2:[(4R,5S,6R,6aS,7R,10aR,11bR)-5-acetyloxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl acetate","w/o MS2:Norbuprenorphine","w/o MS2:NCGC00380197-01!2-[[2-(1,3-dicarboxypropyl)-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-4-yl]amino]pentanedioic acid","w/o MS2:NCGC00381428-01_C25H39NO7_(7E)-6-Hydroperoxy-11,12-dihydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,6,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","Benzyl butyl phthalate","w/o MS2:(Z)-methyl 2-((2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-3-methylpentanoyl)imino)-5-phenyl-2,3-dihydrothiazole-4-carboxylate","w/o MS2:apigenin 6,8-digalactoside","w/o MS2:2-(2-((3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetamido)-5-guanidinopentanoic acid","w/o MS2:NCGC00384820-01_C29H36O10_2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)-","w/o MS2:4-Methylcoumarin","w/o MS2:Ubenimex (Bestatin)","w/o MS2:Flunarizine 2HCl","w/o MS2:N-Acetylmuramic Acid","w/o MS2:2-decyl-3-hydroxypentanedioic acid","w/o MS2:Saikosaponin C","w/o MS2:methyl (1R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.0?,??.0?,?.0??,??]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate","w/o MS2:NCGC00347508-02!4-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]anilino]-4-oxobutanoic acid","w/o MS2:Saikosaponin F","w/o MS2:3,5-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","w/o MS2:NCGC00180491-02_C11H14N4O4S_6H-Purin-6-one, 1,9-dihydro-9-(5-S-methyl-5-thiopentofuranosyl)-","w/o MS2:(2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0?,?.0??,??]heptadec-6-en-11-one","w/o MS2:NCGC00381411-01_C43H62O24_(3Z)-3-Ethylidene-2-(hexopyranosyloxy)-4-(2-{2-[2-({2-[2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetoxy}methyl)-4-hydroxy-3-methylcyclopentyl]-3-hydroxypropoxy}-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid","w/o MS2: NCGC00247500-02!(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide","w/o MS2:Subsessiline","w/o MS2:NCGC00380119-01!3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based on: CCMSLIB00000845434]","w/o MS2:((5aR,5bR,11aR)-9-(cinnamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl cinnamate","w/o MS2:(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol","w/o MS2:Vinyl Carbamate","w/o MS2:L-ASPARTATE","w/o MS2:4\"-O-methyl-EGCG","w/o MS2:berkeleyacetal A","w/o MS2:Caseadine","w/o MS2:3-Hydroxytyramine","Ganoderic acid I","w/o MS2:Heteropeucenin, Methyl Ether","w/o MS2:Cascaroside C","w/o MS2:Cascaroside B","w/o MS2:NCGC00180037-02!2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-pentylbenzoic acid","w/o MS2:INDOXYL SULFATE","w/o MS2:3-Indolebutyrate","w/o MS2:(3S,4S,4aS,6R,6aS,6bS,7S,8R,8aR,9S,9aS,12S,15aS,15bS,16aR,16bS)-9,12,16b-trimethyldocosahydro-1H-4,16a-epoxybenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,4,6,6b,7,8,9-heptaol","w/o MS2:h_13_stanozolol_3'OH","w/o MS2:[(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate","w/o MS2:NCGC00380230-01_C26H40O9_2,4a,6-Trihydroxy-8-isopropyl-1,1-dimethyl-2,3,4,4a,5,10,11,11a-octahydro-1H-dibenzo[a,d][7]annulen-7-yl beta-D-glucopyranoside","w/o MS2:NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","w/o MS2:NCGC00385571-01![1,3,12-triacetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848377]","w/o MS2:(3E,12E)-3,12-dimethyl-8-methylidene-6,18-dioxatricyclo[14.2.1.0?,?]nonadeca-3,12,16(19)-triene-7,17-dione","w/o MS2:abloxime / IC202C","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,8R,9R,10R,11R,12aR)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2:Cowaxanthone B","w/o MS2:Phosphatidylethanolamine (20:3/16:0) Abbr: hLPPE","w/o MS2:Iobitridol","w/o MS2:NCGC00381327-01_C21H28O6_2H,11H-Naphtho[2,1-b]pyrano[3,2-e]pyran-9-carboxylic acid, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-3-hydroxy-4,4,6a,12b-tetramethyl-11-oxo-","4-((10S,13R)-3-(((2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:(3S,4S,6aR,6bS,8R,8aR,12aS,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid","w/o MS2:Compound2 from S.guyanensis","w/o MS2: N-(3-Methoxybenzyl)palmitamide","w/o MS2:Glyceryl trimyristate","w/o MS2: (4aS,6aR,6bR,10S,12aR)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid","w/o MS2:Nafamostat mesylate","w/o MS2:Tricaprylin (C8:0)","w/o MS2:Triflumizole","w/o MS2:Thiazopyr","w/o MS2:\"2-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid\"","Darutigenol","w/o MS2: MLS002172460-01!MG 62477257-42-2","w/o MS2:Ganoderic acid LM2","Gitogenin","w/o MS2:Pesticide6_Tetraconazole_C13H11Cl2F4N3O_1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole","w/o MS2:NCGC00179985-02![(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000848381]","w/o MS2: 2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one","w/o MS2:1-Amino-1-cyclopentanecarboxylic acid","w/o MS2:Octanoyl-L-Carnitine","w/o MS2:PC 18:0/18:1(9Z)","w/o MS2: (1R,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0?,?.0??,??]pentadeca-3,8-dien-13-yl hexadecanoate","w/o MS2:N-ACETYLSEROTONIN","w/o MS2:Ferimzone E","w/o MS2:3,3'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-dicarbonyl)bis(3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one)","w/o MS2:NCGC00380248-01![2-(7-methoxy-2-oxochromen-8-yl)-4-methylideneoxolan-3-yl] 3-methylbutanoate","w/o MS2:N-2-Fluorenylacetamide","w/o MS2:decyl acetate","w/o MS2:hetisine","w/o MS2: N,N-Diethyl-4-hydroxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE","w/o MS2:O-ACETYL-L-SERINE","w/o MS2:Triphenylphosphine oxide","w/o MS2:IRIGENIN, DIBENZYL ETHER","w/o MS2: (E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid","w/o MS2:[(5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate","w/o MS2:NCGC00180457-02!4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one [IIN-based on: CCMSLIB00000847667]","w/o MS2: N-(2-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-3-oxo-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazin-8-yl)propionamide","w/o MS2:Ganoderal A","w/o MS2:NCGC00381245-01_C22H30O8_2-[6-{[(2Z)-4-Acetoxy-2-methyl-2-butenoyl]oxy}-2-hydroxy-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylic acid","w/o MS2:Neobavaisoflavone","w/o MS2:Sodium Houttuyfonate","w/o MS2:Menaquinone-4","w/o MS2:NCGC00381154-01_C27H35ClN2O6_6-{7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-2(6H)-isoquinolinyl}norleucine","w/o MS2:PF-1052_130138","w/o MS2:Haemoventosine","w/o MS2:NCGC00381455-01_C20H26O6_Propanoic acid, 2-methyl-, (3aS,4S,5S,6E,10E,11aR)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-5-methoxy-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester","w/o MS2:NCGC00347608-02_C30H38O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-10-(1-oxopropoxy)-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","w/o MS2:Ammonium Glycyrrhizinate (AMGZ)","w/o MS2: Yunaconitine","Arachidonic_acid","w/o MS2:3-Deacetylkhivorin","w/o MS2:Baicalin","w/o MS2:NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate","w/o MS2:1,3-Dipropan-2-ylurea","w/o MS2:C9H17NOS; PlaSMA ID-540","w/o MS2: Pesticide9_Desmedipham_C16H16N2O4_3-[(Ethoxycarbonyl)amino]phenyl phenylcarbamate","w/o MS2:Periplogenin 3-[O-beta-glucopyranosyl-(1->4)-beta-sarmentopyranoside]","w/o MS2:Siomycin_B","w/o MS2:altenusin","w/o MS2:Siomycin_C","w/o MS2:(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-28-(4-methylpiperidin-1-yl)-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1^{4,7}.1^{15,19}.0^{5,30}]tritriaconta-1,3,5(30),9,21...","w/o MS2:[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate","w/o MS2:E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene","TREHALOSE","w/o MS2:Perakine","w/o MS2:NCGC00380679-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate","w/o MS2:(3,5,14-trihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl)methyl nitrate","w/o MS2:MAG","w/o MS2:NCGC00385109-01_C21H28O7_(10Z)-6-Formyl-10-(hydroxymethyl)-5-methoxy-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate","w/o MS2:4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","w/o MS2:Palythazine","w/o MS2:Dihydromyristicin","w/o MS2:(9Z,12Z,15Z)-9,12,15-octadecatrienoic acid","w/o MS2:NCGC00179757-02![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 4-hydroxybenzoate","w/o MS2:MMV019993","w/o MS2:NCGC00179935-02!(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one [IIN-based: Match]","w/o MS2:1-(2-(1H-indol-3-yl)ethyl)thiourea","w/o MS2:NCGC00385491-01!(E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide","w/o MS2:Walleminone","4-((3S,10R,13R,14S,17R)-3-(((2R,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10-(hydroxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:(S,Z)-2-(2-((2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)-3-(4-hydroxyphenyl)propanoic acid","w/o MS2: NCGC00380699-01!","w/o MS2: (4aR,5R,6aS,6bR,10S,12aR)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:Phenformin","(2R,3R,4S,6R)-6-((10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl acetate","w/o MS2:5-Hydroxytryptophan","w/o MS2:(3S,6R,9S,12R,15S,18R)-3-butan-2-yl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","w/o MS2:Arthoniaic acid","w/o MS2:biotin","w/o MS2:(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((3-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)thio)tetrahydro-2H-pyran-3,4,5-triyl triacetate","w/o MS2:2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate","(Z)-5,8,11-trihydroxyoctadec-9-enoic acid","w/o MS2:Bisperfluorodecyl phosphate","w/o MS2:dehydrohaliclocyclin F dial","w/o MS2:NCGC00381238-01_C31H47NO8_2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-alpha-L-mannopyranoside","w/o MS2:NCGC00380388-01!","hexadecanedioic acid","w/o MS2:swertiamarin","w/o MS2:culpin","2,2'-(Tetradecylimino)diethanol","w/o MS2:NCGC00386008-01_C29H44O8_Card-20(22)-enolide, 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-, (3beta,9xi)-","w/o MS2:Tripelennamine","N,N-Dimethyldodecylamine","w/o MS2:Feruloyl allylamine","w/o MS2:3',4',5',6'-tetrahydro-6',6'-dimethyl-spiro[isobenzofuran-1(3H),2'-[2H]pyran]-3-one","w/o MS2:Sorbitane Monopalmitate - Polysorbate 40 in-source fragment","w/o MS2:stepharine","w/o MS2:Allethrin","w/o MS2:N-((S)-1,2,3-trimethoxy-10-(((S)-4-(methylthio)-1-oxo-1-(4-(piperidin-1-ylsulfonyl)-1,4-diazepan-1-yl)butan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:NCGC00385162-01_C20H30O_14-Isopropylpodocarpa-8,11,13-trien-13-ol","w/o MS2:4H-chromen-4-one","w/o MS2:Benazepril","w/o MS2:3-methyl-2-(4-methyl-2-(4-oxo-4-(((5aS,6R,12S)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)oxy)butanamido)pentanamido)pentanoic acid","w/o MS2:14-Benzoylaconine","w/o MS2:2',4',6'-Trihydroxydihydrochalcone","w/o MS2:\"((4R)-4-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,2-dimethylpentanoyl)glycine\"","w/o MS2: (1R,2R,4aS,6aS,6bR,9R,10R,11R,12aR)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:Hydroxysaffloryellow A","w/o MS2:NCGC00384583-01_C25H36O8_[(4R,5S,6R,6aS,7R,10aR,11bR)-5-Acetoxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-yl]methyl acetate","w/o MS2:(4R,6aS,8aS)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl butyrate","w/o MS2:methyl 2-(9-(furan-2-ylmethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate","w/o MS2:Dextromethorphan-d3","w/o MS2:Acacetin","w/o MS2:Methyl Fexofenadine","w/o MS2:vincamine","w/o MS2:N-Methylproline","w/o MS2:NCGC00384905-01_C24H40O12_(2R,3E)-4-[(1S,6R)-1-Hydroxy-2,2,6-trimethyl-4-oxocyclohexyl]-3-buten-2-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside","w/o MS2:Echimidine","w/o MS2:Apramycin","w/o MS2:Apramycin sulfate","w/o MS2:2,2-Dipyridyl","w/o MS2: NEROL","w/o MS2:Lacidipine","w/o MS2:methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate","w/o MS2:Glutathione","w/o MS2:3-(alpha,alpha-dimethylallyl)psoralen","w/o MS2:NCGC00168848-03_C32H46O11_Carda-4,20(22)-dienolide, 6-(acetyloxy)-3-[(6-deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy]-8,14-dihydroxy-, (3beta,8xi,9xi)-","w/o MS2:Pesticide4_Boscalid_C18H12Cl2N2O_3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-","w/o MS2:Aphidicolin","w/o MS2:MMV676597","w/o MS2:Terbinafine","w/o MS2:3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","w/o MS2:MMV676599","ADENOSINE 3',5'-DIPHOSPHATE","w/o MS2: C27H40O3; PlaSMA ID-2246","w/o MS2:S-Adenosylmethionine","w/o MS2:Barbaleucamide B","w/o MS2:NCGC00169957-03_C30H51N5O7_3-sec-Butyl-16-isobutyl-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone","w/o MS2:2'-O-Methyluridine","w/o MS2:Barbaleucamide A","(3S,5S,8R,10R,13R,14S,17R)-14-hydroxy-3-[(2S,3R,4R,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde","w/o MS2:Isoeugenol acetate","w/o MS2:(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0?,?]heptadec-4-ene-3,11-dione","w/o MS2:MMV676589","w/o MS2:Oxostephanine","w/o MS2:NCGC00384587-01_C41H64O15_1-O-[(3beta,5xi,9xi,16alpha)-16,23-Dihydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","w/o MS2:Zygadenin","w/o MS2:PHENYLETHANOLAMINE","w/o MS2:MMV687239","w/o MS2:Cyclo(phenylalanylleucyl), (3S,6S)-form","w/o MS2: MLS000069476-01!1-(2-PYRIMIDYL)PIPERAZINE DIHYDROCHLORIDE","w/o MS2: NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid","w/o MS2:Galactose","(3,5,14-trihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl)methyl nitrate","w/o MS2:NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid","w/o MS2:NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid [IIN-based on: CCMSLIB00000847550]","w/o MS2:suberosin","w/o MS2:Cholic Acid, Methyl Ester","w/o MS2:pachymic acid","w/o MS2:NCGC00384969-01_C22H31NO4_(5R)-3-({(1S,2R,4aS,6R,8aR)-1,6-Dimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-4-hydroxy-5-(hydroxymethyl)-1-methyl-1,5-dihydro-2H-pyrrol-2-one","w/o MS2:(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-bis(acetyloxy)-3,6,6,14-tetramethyl-10-methylidene-2-oxotricyclo[10.3.0.0?,?]pentadec-3-en-11-yl acetate","w/o MS2:(1S,3S)-1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid","w/o MS2:MMV676571","w/o MS2:NCGC00384564-01_C22H30O14_3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl alpha-D-glucopyranoside","w/o MS2:NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate","w/o MS2:alpha-Naphthoflavone","w/o MS2:(2S,3R)-2-(1-((S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-4-phenylpiperidine-4-carboxamido)-3-methylpentanoic acid","w/o MS2:Anthranilic acid","w/o MS2:(Z)-2-(3-hydroxy-4-methoxybenzylidene)-9-(quinolin-4-yl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:N-(1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-(8-(6,7-dimethyl-4-oxo-4H-chromen-2-yl)-4H-benzo[d][1,3]dioxine-6-carbonyl)pyrrolidine-2-carboxamide","w/o MS2:NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione [IIN-based on: CCMSLIB00000846769]","w/o MS2:3-METHOXYTYRAMINE","w/o MS2:sodium (2S,3R,4S)-4-((2S,7S,8R,9S)-2-((2S,2'R,3'S,5R,5'R)-2-ethyl-5'-((2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-3'-methyloctahydro-[2,2'-bifuran]-5-yl)-9-hydroxy- 2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2 -methylpentanoate","w/o MS2:Glutamate conjugated chenodeoxycholic acid","Hosenkoside G","w/o MS2: S-((3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) 2-bromohexanethioate","w/o MS2:Apigenin 7-??-rutinoside","w/o MS2:Deflazacort (Calcort)","w/o MS2:Methacrylamide","w/o MS2:Sydonic acid","w/o MS2:OMEGA-HYDROXYDODECANOATE","w/o MS2:MMV688547","w/o MS2:MMV676588","w/o MS2:D-Mannose-6-phosphate barium salt hydrate","w/o MS2:[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 3,4-dihydroxy-2-methylidenebutanoate","w/o MS2:Tenacissoside I","w/o MS2:Miriquidic acid","w/o MS2:Tenacissoside H","w/o MS2:Loteprednol Etabonate","w/o MS2:URIDINE 5'-DIPHOSPHOGLUCURONIC ACID","w/o MS2:Germerin","w/o MS2: (3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione","w/o MS2:Ioperamide","w/o MS2:S-HEXYL-GLUTATHIONE","w/o MS2:MMV688555","NCGC00385811-01!6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole","w/o MS2:Biuret","w/o MS2:Praeruptorin C","w/o MS2:Praeruptorin B","w/o MS2:MLS002153969-01!Strophanthidin66-28-4","w/o MS2:atrazine","glycochenodeoxycholic acid","dioctylamine","w/o MS2:MMV688543","w/o MS2:NCGC00384826-01_C46H58N6O14_(1S,4R,7S,10S,13S,16S)-10-(4-Methoxybenzyl)-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaen-24-yl beta-D-glucopyranoside","w/o MS2:NCGC00385670-01!N-(10-hydroxy-10-methylundecyl)acetamide","w/o MS2:Crocin","w/o MS2:Securinine","(2R,3R,4S)-6-(((2R,4S)-6-(((2R,4S,6R)-6-(((10S,13S,17S)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl acetate","Harman","w/o MS2:Hydroxylated discorhabdin V","w/o MS2:neoechinulin A","w/o MS2:5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","w/o MS2:CYTIDINE 5'-DIPHOSPHOCHOLINE","w/o MS2:peiminine","w/o MS2:Dulcin","w/o MS2:NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol","w/o MS2: NCGC00380796-01_C28H39NO_2-Naphthalenol, decahydro-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-penten-1-yl)-, (1S,2S,4aR,5R,8aR)-","w/o MS2:MMV688514","w/o MS2:[2-hydroxy-3-phosphonooxypropyl] hexadecanoate","w/o MS2: NCGC00386000-01!3-pentadecylbenzene-1,2-diol","w/o MS2:Triolein","w/o MS2:NCGC00380352-01!5-butyl-4-hydroxy-3-methyl-6-(3-methylbut-2-enyl)-1H-pyridin-2-one","w/o MS2:FucGlcNAcThrNAc","w/o MS2:NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2:methyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.0?,?.0?,?.0??,??]octadeca-2,4,6,8-tetraene-18-carboxylate","w/o MS2: LPE 18:3; PlaSMA ID-2582","w/o MS2:butyrolactone i","w/o MS2:NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide [IIN-based: Match]","NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","w/o MS2:MMV676524","w/o MS2:Smenospongiarine","w/o MS2:Prilocaine","w/o MS2:Ethanolamine","w/o MS2: NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","w/o MS2:NCGC00381156-01_C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate","w/o MS2:Delsoline","w/o MS2:MMV688509","w/o MS2:NCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate [IIN-based: Match]","w/o MS2:Fusaproliferin_130137","w/o MS2:EP_M637","w/o MS2:NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid","w/o MS2:L-TRYPTOPHANAMIDE","w/o MS2:NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone","w/o MS2:methyl (2S,3R,4S)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate","w/o MS2:GENTAMICIN SULFATE","w/o MS2:[Ala9]-moroidin-[QLLVWRAH]","NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]","w/o MS2:C18H31NO3; PlaSMA ID-1640","w/o MS2:8-Oxo-2-deoxyadenosine","w/o MS2:SUBERATE","sodium (2S,3R,4S)-4-((2S,7S,8R,9S)-2-((2S,2'R,3'S,5R,5'R)-2-ethyl-5'-((2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-3'-methyloctahydro-[2,2'-bifuran]-5-yl)-9-hydroxy- 2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-3-methoxy-2 -methylpentanoate","w/o MS2:Rifabutin (Mycobutin)","w/o MS2:Sphinganine (d18:0)","w/o MS2:MMV676509","w/o MS2:NCGC00385430-01_C17H30O10_(3Z)-3-Hexen-1-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","w/o MS2:LIGUSTILIDE","w/o MS2:Normianserin","w/o MS2:Lauramidopropylbetaine","w/o MS2:ACETYL ISOGAMBOGIC ACID","w/o MS2:Jaceosidin","w/o MS2: Metazachlor OXA; LC-ESI-ITFT; MS2; CE","w/o MS2:4-(4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl)-1-(((5R,17S)-17-hydroxy-5,10,13-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)methyl)-2,6-diphenylpyridin-1-ium perchlorate","w/o MS2:Triphenylphosphate","w/o MS2:NCGC00380138-01!","w/o MS2:Malvin","w/o MS2:(5-benzoyloxy-2-chloro-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate","w/o MS2:MMV676520","w/o MS2:7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-one","w/o MS2:Triethylgallamine","w/o MS2:1,1'-biisoquinoline","w/o MS2:MMV024311","w/o MS2:dehydroxynocardamine","w/o MS2:Benidipine","w/o MS2:Triacetylfusarinin C","w/o MS2:Clothianidin","w/o MS2:Pachyrrhizin","w/o MS2:MMV676512","w/o MS2: stearic acid","w/o MS2:Teraspiridole B_130089","O-Phosphocholine","w/o MS2: hydroquinidine","w/o MS2: 4-(3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2: methyl 10-acetyloxy-4,5,9-trihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate","Proline","w/o MS2:[1a-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] 3,4-dimethoxybenzoate","w/o MS2:3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid","w/o MS2: Bimatoprost","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3R,4S,5R,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","w/o MS2:Quercetin-3-O-glucose-6''-acetate","w/o MS2: (Z)-9-(3-hydroxy-4-methoxyphenyl)-2-(2,4,5-trimethoxybenzylidene)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:N,N-Dimethyltryptamine","w/o MS2:19-Norandrosta-4,9-dien-3,17-dione","w/o MS2:Lincomycin","w/o MS2:NCGC00380804-01_C31H48O10_(2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)-14,16,18,22,24,26-Hexahydroxy-2,3,27-trimethyl-28-oxooxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid","w/o MS2:NCGC00385005-01!","w/o MS2:10-Gingerol","w/o MS2:h_298_bicalutamide","w/o MS2:11,12-dihydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-1H,2H,3H,4H,6aH,9H,10H,11H,12H,13H,14H,15H,15bH-cycloundeca[e]isoindole-1,15-dione","w/o MS2:(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl 4-((3,4-dihydroxyphenethyl)amino)-4-oxobutanoate","w/o MS2:NCGC00380213-01_C19H32O8_2-Butanone, 4-[3-(beta-D-glucopyranosyloxy)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-","w/o MS2:NCGC00347713-02_C36H44N8O9_Cyclo(glycyltryptophylprolylglycylvalylglycyl-beta-hydroxytyrosyl)","w/o MS2:Chlorogenic acid","w/o MS2: 2-methyl-2-(3-pentadecylphenoxy)propanoic acid","w/o MS2:(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-[(3S,8R,10R,12R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol","w/o MS2:NCGC00380651-01!5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl]oxy-2,3,8,12b-tetrahydroxy-3-methyl-4a-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","w/o MS2: iodinated analogue of makaluvone","w/o MS2:NCGC00169833-02_C15H22O9_(1S,4aR,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside","w/o MS2:Cotinine","w/o MS2:Torasemide","w/o MS2:NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid [IIN-based on: CCMSLIB00000847074]","w/o MS2:\"2,4-Di-O-methylolivetonide\"","w/o MS2: Etamiphylline; LC-ESI-QTOF; MS2; CE","w/o MS2: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-yloxy]oxane-3,4,5-triol","Ginsenoside Rf","w/o MS2: Valactamide A putative","w/o MS2:Trospium","w/o MS2:2,2'-[(4-Methylphenyl)imino]diethanol","w/o MS2:Corylin","w/o MS2: N,N-Diethyl-4-methoxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE","Viridicatin","w/o MS2: 7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one","w/o MS2:methyl (2S,3R,4S)-3-ethenyl-4-[(Z)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate","w/o MS2:veratramine","w/o MS2:benzo[b][1,8]naphthyridin-5-ol","w/o MS2:Flumioxazin","w/o MS2:(9Z,12Z)-N-(3-Methoxybenzyl)octadeca-9,12-dienamide","w/o MS2:NCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000849079]","2-(2-amino-4-hydroxy-6-methylpyrimidin-5-yl)acetic acid","w/o MS2: Diacetylpyxinol","w/o MS2:Genistin","w/o MS2:Carbaryl","w/o MS2:Sulfameter (Bayrena)","w/o MS2:Ginsenoside compound K","w/o MS2:(R,E)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-(1-((2-(5-methyl-1H-pyrazol-1-yl)ethyl)amino)ethylidene)dibenzo[b,d]furan-1,3(2H,9bH)-dione","w/o MS2:(4aR,6aR)-4a,6a-dimethyl-8-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl 2-((3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetate","w/o MS2:Salvinorin A","w/o MS2:8,9-epoxy-3-isobutyryloxy-10-(2-methylbutanoyl)thymol","w/o MS2:phytic acid","w/o MS2:NCGC00380450-01!6-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5,7-dimethoxychromen-2-one [IIN-based: Match]","w/o MS2:NCGC00169090-02!2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine","w/o MS2: 2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid","w/o MS2:(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-{[(3-methylbutanoyl)oxy]methyl}tetracyclo[11.2.1.0?,??.0?,?]hexadecane-5-carboxylic acid","w/o MS2:NCGC00163426-02_C35H58O9_alpha-D-threo-Pentopyranose, 2,4-dideoxy-1-C-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methylbutyl]-4-methyl-5-C-(1-methylethyl)-, (5R)-","w/o MS2: 4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid","w/o MS2:9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.0?,?.0?,?]tetradeca-1,7,9-trien-11-one","w/o MS2: NCGC00380989-01_C21H22O7_3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 1,6b,7,8,9a,10,11,11b-octahydro-11-hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-","Perindopril","3-Acetylindole","w/o MS2:NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000848473]","w/o MS2:Rhamnetin","w/o MS2:(R)-1-carboxy-N-((3-(4-fluorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl)methyl)-2-phenylethanaminium 2,2,2-trifluoroacetate","w/o MS2:Anabasamine Hydrochloride","w/o MS2:NCGC00381002-01_C25H33NO6_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one, 7'-(acetyloxy)-3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-, (2R,2'R,4a'S,6'S,8a'S)-","w/o MS2:N-Acetylcytidine","w/o MS2:Ureidoglutaric acid","2-(4-hydroxyphenyl)-4H-chromen-4-one","w/o MS2:TRANS-4-HYDROXY-L-PROLINE","(S)-3-amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid","C21H36O4; PlaSMA ID-1954","w/o MS2:3-Hydroxyspirost-9(11)-en-12-one, 3-Ac","w/o MS2:isorhapontin","w/o MS2:Corypalmine","w/o MS2:NCGC00180355-02_C21H13N3O3_","w/o MS2:h_82_tetrahydrogestrinone","w/o MS2:7-methanesulfinylheptanenitrile","w/o MS2:\"5_,14_,15_-O-triacetoxy-7_-O-benzoyloxy-3_-O-propanoyloxymyrsinol\"","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2:Flumethasone","w/o MS2:[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate","w/o MS2:NCGC00179724-02![2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl]methanol","w/o MS2:Jatrointelone K from S.guyanensis","w/o MS2:Linarin","w/o MS2:\"2,8-Dimethyl-5,7-dimethoxychromone\"","w/o MS2:Ketoconazole","w/o MS2:methyl 3-(6-((4-formylpiperazin-1-yl)methyl)-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)propanoate","w/o MS2:3-HYDROXYKYNURENINE","w/o MS2:Piperazimycin B","w/o MS2: Smyrindioloside","w/o MS2:Piperazimycin A","w/o MS2:2,2'-(Oxydimethanediyl)bis(2-ethylpropane-1,3-diol)","w/o MS2:PYROGALLIN","w/o MS2: Fisherellin A","w/o MS2:N-((S)-1,2,3-trimethoxy-10-(((S)-3-methyl-1-oxo-1-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)butan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","w/o MS2:Soyasapogenol B","w/o MS2: CINNAMYL ALCOHOL","w/o MS2:2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid","w/o MS2: (5R)-trans-1,7-diphenyl-5-hydroxy-6-hepten-3-one","w/o MS2:NCGC00180821-02!(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846589]","w/o MS2:Ancymidol","w/o MS2:conocarpan","w/o MS2:7-Methoxy-4-methylcoumarin","w/o MS2:Furostane base + 2O, O-Hex, O-Hex","w/o MS2:Gossypol","w/o MS2: NCGC00347382-02!(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one","w/o MS2:NCGC00380552-01_C22H36O3_2(1H)-Naphthalenone, 8-[5-(acetyloxy)-3-methylpentyl]octahydro-4,4,8a-trimethyl-7-methylene-","w/o MS2:NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:NCGC00160320-01!4-(Cytisin-12-amido)-benzoic acid","glycyrrhetic acid","w/o MS2: NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","w/o MS2:\"4_,12-dideoxyphorbol-13-(2,3-dimethyl)butyrate-20-acetate\"","w/o MS2: Cotoin","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(3S,4R,6aR,6bS,8aS,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","w/o MS2:Isoxaflutole","w/o MS2:3-methyl-2-butenal","w/o MS2:Homoharringtonine","w/o MS2:NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848055]","w/o MS2:Oxidized Glutathione","w/o MS2:Flunarizine","w/o MS2: NCGC00380138-01!","w/o MS2:NCGC00385356-01![(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:PAROMOMYCIN SULFATE","w/o MS2: phosphatidylethanolamine (14:0/15:0)","w/o MS2:7-benzyl-11,14-dimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone","w/o MS2:D(-)-3-Phosphoglyceric acid disodium salt","w/o MS2:4-ACETAMIDOBUTANOATE","w/o MS2: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-5-oxido-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium","w/o MS2:Isoxanthopterin","Glycocholic Acid","w/o MS2:Mundulone","w/o MS2:2,2'-Dibenzoylaminodiphenyl disulfide","w/o MS2:Dimefline","w/o MS2:NCGC00384883-01!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Cinnamoylcholine","w/o MS2:(2S,3R,4S,5R,6R)-2-((5,7-diacetoxy-2-(3,4-diacetoxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-6-((((2R,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate","w/o MS2:NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]","w/o MS2:Pesticide4_Amitraz_C19H23N3_N'-(2,4-Dimethylphenyl)-N-{(E)-[(2,4-dimethylphenyl)imino]methyl}-N-methylimidoformamide","w/o MS2:NCGC00168890-02!6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","w/o MS2: MMV054312","w/o MS2:NCGC00384975-01_C21H36O11_beta-D-Glucopyranoside, (1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:Vittatine","w/o MS2: Pesticide4_Cymoxanil_C7H10N4O3_(2E)-2-Cyano-N-(ethylcarbamoyl)-2-(methoxyimino)acetamide","w/o MS2:NCGC00385190-01_C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside","w/o MS2:Neohesperidin dihydrochalcone","w/o MS2:h_268_isomere_de_oxymetholone_m2","1,4-Cyclohexanedione","w/o MS2:tert-butyl ((11S)-1-amino-15-(4-((tert-butoxycarbonyl)oxy)phenyl)-5-isobutyl-11-methyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-14-yl)carbamate","w/o MS2:5,7-dihydroxy-8-(1-(3-(4-methoxyphenethoxy)phenyl)-3-morpholino-3-oxopropyl)-2-phenyl-4H-chromen-4-one","w/o MS2:curvularin","w/o MS2: Methadone; LC-ESI-ITFT; MS2; CE","w/o MS2: NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate","w/o MS2:_130036","w/o MS2:Homoeriodictyol","w/o MS2:[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate","w/o MS2:Dinactin","w/o MS2: 2-acetoxy-6-pentadecylbenzoic acid","w/o MS2:(2R)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","w/o MS2:Cyclo(Leu-Pro)","w/o MS2:Nafadotride","w/o MS2:3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one","w/o MS2:(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0?,??.0?,??.0?,??.0?,??]tetracos-15-en-23-one","w/o MS2:NCGC00380345-01!(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based on: CCMSLIB00000846680]","w/o MS2:NCGC00384809-01!5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847958]","w/o MS2:methyl (1R,4S,4aS,7R,8S,9R)-4,8,9-triacetyloxy-7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate","w/o MS2:NCGC00180843-03_C25H36O12_2,7-Octadienoic acid, 6-hydroxy-2,6-dimethyl-, (1aR,1bS,2S,5aS,6R,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a-hydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E,6S)-","w/o MS2:3-(9,10-dimethoxy-5,11-dioxoisoindolo[2,1-a]quinazolin-6(5H,6aH,11H)-yl)-N-((tetrahydrofuran-2-yl)methyl)propanamide","w/o MS2: (1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0?,??.0?,?.0??,??]icosane-5,15-dicarboxylic acid","w/o MS2:Vitamin B12","w/o MS2:Dolasetron","w/o MS2:Fluoxetine","w/o MS2:Finasteride","w/o MS2:DEOXYCORTICOSTERONE","Glabrone","w/o MS2:Pesticide1_Dimethomorph Isomer 1*_C21H22ClNO4_(2E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one","w/o MS2:[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","w/o MS2:Sitagliptin","w/o MS2:NCGC00384747-01!9-methoxy-4-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847577]","w/o MS2:Citropen","w/o MS2:NOSCAPINE","w/o MS2:HT-2 Toxin","w/o MS2:NCGC00380607-01_C25H39NO4_(7E)-12-Hydroxy-3-isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","w/o MS2:LPE 18:1","w/o MS2:Triticonazole","w/o MS2:LPE 18:2","w/o MS2:TRYPTAMINE","w/o MS2:LPE 18:3","w/o MS2:NCGC00347389-02_C42H72O14_beta-D-Glucopyranoside, (3beta,6alpha,9xi,12beta)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl-","w/o MS2:Kahweol","w/o MS2:Glabridin","w/o MS2:\"(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5R)-5,7-dihydroxyheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol\"","w/o MS2:NCGC00384962-01!2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based on: CCMSLIB00000848955]","w/o MS2:DICTAMNINE","w/o MS2:Fraxin","w/o MS2: 1-(4-methoxyphenyl)ethanone","w/o MS2:NCGC00380309-01_C12H14O4_(7R,8R)-7,8-Dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isochromen-6-one","w/o MS2: Magnocurarine","w/o MS2:tetra(methoxymethyl)melamine (putative)","w/o MS2:brucine","w/o MS2:NCGC00385036-01_C22H34N4O4_N-Methyl-N-[(2E,4E,6E)-2,4,6-octatrienoyl]valylalanylprolinamide","w/o MS2:METHYLPREDNISOLONE","w/o MS2:terpestacin","w/o MS2:NCGC00385854-01_C14H19N3O4_N~5~-Carbamoyl-N~2~-(phenylacetyl)ornithine","w/o MS2:octyltyrazolone","w/o MS2:3,4-Dimethoxyphenethylamine","w/o MS2:ANILINE-2-SULFONIC ACID","w/o MS2: NCGC00385302-01_C42H68O14_(3beta,5xi,9xi)-3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid","w/o MS2: 4-((11aS)-1,3-dioxo-5-(p-tolyl)-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)-N-(4-phenylbutan-2-yl)benzamide","w/o MS2:N-ACETYLNEURAMINATE","w/o MS2:NCGC00160200-01!FOLIOSIDINE ACETONIDE","w/o MS2:sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogenphosphate","w/o MS2:_130049","w/o MS2:syringaresinol","w/o MS2: [1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate","w/o MS2:Physodic acid","w/o MS2:Cholic acid","w/o MS2:Lovastatin","w/o MS2:Makaluvamine O","w/o MS2:NCGC00385320-01_C26H36O11_3-(4-{[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxyphenyl)propyl 6-deoxy-alpha-L-mannopyranoside","w/o MS2: NCGC00380160-01_C24H40O5_4-{[5-(7-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","w/o MS2:3-methyl-8,10,20,22-tetraoxa-3-azapentacyclo[15.7.0.0?,??.0?,??.0??,??]tetracosa-1(17),5,7(11),12,18,23-hexaen-14-one","w/o MS2:Phosphonoacetic acid","w/o MS2:Curacin D","w/o MS2:NCGC00169672-02_C26H28N2O9_14H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11,14(3H)-dione, 4-ethenyl-3-(beta-D-glucopyranosyloxy)-4,4a,5,5a,6,12-hexahydro-, (3S,4R,4aS,5aS)-","w/o MS2:NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate","w/o MS2:NCGC00180155-02!3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based on: CCMSLIB00000845136]","5,7-dihydroxy-8-(1-(2-hydroxy-6-methoxyquinolin-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxopropyl)-2-phenyl-4H-chromen-4-one","w/o MS2:4beta-hydroxyisodolichantoside","w/o MS2:Makaluvamine Q","w/o MS2:Bentyl","w/o MS2: (10R,13S,16R,17S)-17-acetyl-16-ethyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","w/o MS2:Mirificin","w/o MS2:epicatechin gallate","w/o MS2:Cyclamate","w/o MS2:Pregabalin","w/o MS2:NCGC00381223-01_C47H74O19_1-O-{(3beta,5xi,9xi,18xi)-3-[(2-O-Hexopyranosylpentopyranosyl)oxy]-29-hydroxy-28,29-dioxoolean-12-en-28-yl}hexopyranose","w/o MS2:N-Acetylglutamic acid","w/o MS2:NCGC00385539-01!","w/o MS2:NCGC00380615-01_C24H34O9_(3alpha,4beta,8alpha,12R)-4,15-Diacetoxy-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate","w/o MS2:Flavanone base + 4O, 2Prenyl","w/o MS2:Guaiacin","w/o MS2:Lyngbyapeptin A","w/o MS2:terracinolide J","w/o MS2:NCGC00321441-02!7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000845968]","w/o MS2:N-Methylthreonine","w/o MS2:L-Methionine sulfone","w/o MS2: Dehydrosalsolidine","w/o MS2:Sinigrin","w/o MS2: NCGC00380576-01_C22H32O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)-","w/o MS2: Ormetroprim","w/o MS2:NCGC00168840-03!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848447]","w/o MS2:Chrysanthemyl Alcohol","w/o MS2: (Z)-7-((butyl(methyl)ammonio)methyl)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-olate","w/o MS2:NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [IIN-based: Match]","w/o MS2: Glabrol","w/o MS2:3,4,5-trimethoxycinnamic aldehyde","w/o MS2:5-{8(Z),11(Z)-pentadecadienyl}resorcinol","6-methoxyquinoline","w/o MS2:homoorientin","w/o MS2:NCGC00386078-01_C36H63N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tri[(2S)-2-butanyl]-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","w/o MS2:tetradec-5-ynoic acid","w/o MS2:NCGC00384881-01!(3S,5R,8R,10R,13R,14S,17R)-3-[5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde","w/o MS2:Pesticide2_Alanycarb_C17H25N3O4S2_","w/o MS2:NCGC00385717-01_C26H40O12_7-Hydroxy-1-({3-O-[(2E)-8-hydroxy-2,6-dimethyl-2-octenoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","w/o MS2:NCGC00380810-01!","w/o MS2:Ala-Val","w/o MS2:Thymine","w/o MS2:2-[[6-[[17-[5,6-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:\"8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine\"","w/o MS2:NCGC00384857-01_C25H33Cl2N5O6_17,18-Dichloro-3,13-diethyl-6-(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone","w/o MS2: (1r,5R,7S)-5,7-diethyl-2-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-diazaadamantan-6-one","w/o MS2:Piracetam","w/o MS2: NCGC00380102-01!3-hexadecyl-4-methoxy-5-methyloxolan-2-one","w/o MS2:2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate","w/o MS2: Fluphenazine","w/o MS2:Tobramycin, deactivated 2'' phosphorylation, 6' N-acetylation","w/o MS2:\"2-((3R)-3-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamido)ethane-1-sulfonic acid\"","w/o MS2: NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-","w/o MS2:\"(4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","w/o MS2:N-Fructosyl tyrosine","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","TACROLIMUS","w/o MS2:Crocacin B","w/o MS2:Amphetamine","w/o MS2:TG(14:0/16:1/14:0) (d5)","w/o MS2:Leucylvaline","w/o MS2: 5-(4-acetyloxy-3-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoic acid","w/o MS2:NCGC00384835-02![4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","w/o MS2:MMV687172","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-(4-benzoylpiperazin-1-yl)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13...","w/o MS2:Atomexetine","w/o MS2:NCGC00381339-01!methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate","w/o MS2: NCGC00380949-01_C28H42O5_3,5,9,23-Tetrahydroxy-18,22-cycloergosta-6,8(14)-dien-11-one","w/o MS2:(4-bromophenyl)(7,8-dimethoxy-3-methyl-2,3-dihydro-1H-benzo[d]azepin-4-yl)methanone","w/o MS2:methyl 3-(1-(2-(1H-indol-3-yl)ethyl)-2-hydroxy-6-methyl-4-oxo-1,4-dihydropyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)propanoate","Caffeine","w/o MS2:Artesunate","w/o MS2:S4:18(P3:16/F1:2)","w/o MS2:Berberine Sulfate","w/o MS2:PAR_174.09141_15.0","w/o MS2:Isorangiformic acid","w/o MS2:feruloyltyramine","w/o MS2:(3,4,5-trimethoxyphenyl)methanaminium (10S,13R,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylate","w/o MS2:Mecarbinate","w/o MS2:methyl jasmonate","w/o MS2:Ganolactone B","w/o MS2:6-Hydroxydeoxybrevianamide E","w/o MS2:Chrysin","w/o MS2: Ambiguine_C_isonitrile","w/o MS2:(cis,trans)-Farnesyl acetate","w/o MS2:NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid [IIN-based on: CCMSLIB00000848683]","w/o MS2:NCGC00169585-02!(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one [IIN-based on: CCMSLIB00000847050]","w/o MS2:4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S)-5-(((2S,4S,5S)-5-(((2S,4S,5S)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:Euphoractine S from S.guyanensis","w/o MS2:7,8-Didehydroastaxanthin","2`-O-Methylguanosine","w/o MS2:Metazachlor","w/o MS2:amorphigenin","w/o MS2: N-Nitrosomorpholine","w/o MS2:Ingenol-3,4-5,20-diacetonide","w/o MS2: Lupinine","Zamifenacin","w/o MS2:NCGC00384532-01_C35H52O14_Carda-5,17-dienolide, 3-[(3-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxy-, (17E)-","w/o MS2:Betulinaldehyde","w/o MS2:NCGC00380692-01!3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid","w/o MS2:N-[3-(Dimethylamino)propyl]dodecanamide","w/o MS2:allocryptopine","w/o MS2:NCGC00386092-01_C11H18N2O4_","w/o MS2:Notoamide S","w/o MS2:MMV688469","Ginsenoside F3","w/o MS2:Notoamide E","w/o MS2:Austricin","w/o MS2:HYDRANGENOSIDE C","w/o MS2:MMV688470","w/o MS2: (9Z,12Z)-N-(3-Methoxybenzyl)octadeca-9,12-dienamide","w/o MS2:[3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate","w/o MS2:Baccatin III","w/o MS2:4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol","w/o MS2:Polanrazine B_120170","w/o MS2: 2,3-dihydroxypropyl stearate","w/o MS2:\"12b-O-[deca-2Z,4E-dienoyl]-13a-isobutyl-5-ene-7-oxo-4b-phorbol\"","w/o MS2:Maltitol","w/o MS2:1,6-O,O-diacetylbritannilactone","w/o MS2:NCGC00380996-01![1-(3,4-dimethoxyphenyl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl] acetate","w/o MS2:NCGC00385597-01_C32H39NO15_(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R,25S)-20-(Acetoxymethyl)-18,24,25-trihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0~1,20~.0~3,23~.0~7,12~]pentacosa-7,9,11-triene-19,21-diyl diacetate","w/o MS2:Pesticide4_Fluoxastrobin_C21H16ClFN4O5_Methanone, [2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (E)-","w/o MS2:Acyclovir","w/o MS2:NCGC00347859-02!2,3-dihydroxypropyl 13-methyltetradecanoate","w/o MS2:Clomipramine","(2S,4aS,6aS,6bR,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid","w/o MS2:Furohyperforin","w/o MS2:NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid [IIN-based: Match]","w/o MS2:NCGC00385937-01_C16H23NO7_2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-3,4-dihydroxy-3,4,5-trimethyl-, 11-oxide","w/o MS2:Fontanesine B","w/o MS2:NCGC00180855-02_C23H36O4_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-, methyl ester, (2Z)-","w/o MS2:CMPF","w/o MS2:5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one","w/o MS2:Diclosulam","w/o MS2:(3R,4R,5R,6R)-2-(((2R,3S,4S,5R)-4,5-dihydroxy-2-(((2'R,4R,5'S,6R,6aR,8aS,9S)-4-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol","w/o MS2:4-[(E)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one","w/o MS2:MMV688466","w/o MS2:1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N2-methylalaninamide","w/o MS2:Vildagliptin","w/o MS2:Agomelatine","w/o MS2:aloperine","w/o MS2:malvidin-3-galactoside chloride","w/o MS2:NIACINAMIDE","w/o MS2:SORBATE","w/o MS2:5(S)-5-carboxystrictosidine","w/o MS2:Chebulinic acid","w/o MS2:Chymostatin B","w/o MS2: (5aR,5bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol","w/o MS2:Solanidine base + O-Hex-dHex; PlaSMA ID-3191","w/o MS2:Dibucaine (Cinchocaine) HCl","w/o MS2:Piperazine","w/o MS2:quercitrin","w/o MS2:T2 Toxin","w/o MS2:NCGC00380622-01!3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid [IIN-based: Match]","w/o MS2:2-Hydroxy-4-methylpentanoic acid","w/o MS2:Adenine","w/o MS2: NCGC00385110-01_C20H38O2_(2R)-1-(5-Hydroxy-3-methylpentyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol","w/o MS2:NCGC00380844-01_C19H25NO10_beta-D-Glucopyranoside, 1H-indol-3-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:Dehydroabietamide","w/o MS2: Melophlin M","w/o MS2:5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid","w/o MS2:2,3-dihydroxypropyl stearate","w/o MS2:2'-Hydroxygenistein 8-C-glucoside","w/o MS2: [1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]octadec-9-enoate","w/o MS2:17-Hydroxyisolathyrol","w/o MS2:Loline","w/o MS2:N-Butylbenzenesulfonamide","w/o MS2:10-hydroxycamptothecin","14-Benzoylaconine","w/o MS2:Periplocymarin","w/o MS2:3,7-O-diacetyl-5,14-O-dibenzoyl-13,17-oxypremyrsinol","w/o MS2:4,20-dideoxyphorbol diester from Euphorbia","w/o MS2:Iodosulfuron-methyl","w/o MS2:N-((S)-10-(((2S,3R)-1-(4-(furan-2-carbonyl)piperazin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","2-Piperidone; CE10; XUWHAWMETYGRKB-UHFFFAOYSA-N","w/o MS2:Actrarit","w/o MS2:Darutoside","w/o MS2:Thiamphenicol","w/o MS2:\"(R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","w/o MS2:Pesticide4_Mepanipyrim_C14H13N3_","w/o MS2:Abietic acid","w/o MS2:[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","w/o MS2:6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-9-one","w/o MS2: Silodosin (Rapaflo)","w/o MS2:NCGC00160284-01!6-HYDROXYIMINO-IMPERIALINE","w/o MS2:NCGC00384489-01!2-phenylfuro[2,3-h]chromen-4-one [IIN-based on: CCMSLIB00000848798]","w/o MS2:(S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4 -one","w/o MS2:NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based: Match]","w/o MS2:2-chloro-1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione","w/o MS2:NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based: Match]","Norvaline","w/o MS2:NCGC00381340-01!(5E)-heptadeca-5,16-diene-1,2,4-triol","OCP_225.0789_16.6","w/o MS2:CGS 15943","w/o MS2:4-Methoxyaniline","w/o MS2:Mesaconitine","w/o MS2:Alpha-Dihydrogedunol","1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine","NCGC00385412-01_C21H32O10_2,4-Pentadienoic acid, 5-[(1R,3S,5R,8S)-3-(beta-D-glucopyranosyloxy)-8-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-, (2Z,4E)-","w/o MS2:MMV688415","w/o MS2:C8H12O4; PlaSMA ID-403","w/o MS2:Riboflavin-5?-monophosphate sodium salt hydrate","w/o MS2:Triethyl phosphate","w/o MS2: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS2; CE","w/o MS2:1-Naphthol","w/o MS2:2-methyl-4(3H)-quinazolinone","w/o MS2:1,2-Cyclohexanedione","w/o MS2:NCGC00386055-01_C26H29N3O5_3-Hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0~1,17~.0~3,15~.0~4,13~.0~7,12~.0~19,23~]hexacosa-4,6,10,12,14-pentaene-24,26-dione 14-oxide","w/o MS2:(E)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid","w/o MS2:4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene","w/o MS2:(2R,3S,4S,5S,6R)-2-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:(R)-2-((R)-2-(((R)-2-(3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxamido)-3-phenylpropyl)amino)-4-methylpentanamido)-5-guanidinopentanoic acid","w/o MS2: Tinnevellin glucoside","w/o MS2:SPIRAMYCIN","w/o MS2:NCGC00380362-01!1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one [IIN-based on: CCMSLIB00000848731]","w/o MS2:\"1,2-Dioleoyl-rac-glycerol\"","w/o MS2:MMV676442","w/o MS2:MMV676444","w/o MS2:Isopropalin","w/o MS2:Trigonelline Hydrochloride","w/o MS2:potassium (1R,5aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate","w/o MS2:Peucedanol","w/o MS2:NCGC00381429-01_C12H13NO3_1H-Indole-3-propanoic acid, alpha-hydroxy-beta-methyl-","w/o MS2:Chloroaureol","w/o MS2:Kaempferol-3-O-alpha-L-arabinoside","w/o MS2:[9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,3a,4,5,5a,7,8,9-octahydrobenzo[e][2]benzofuran-5-yl] benzoate","w/o MS2:Precyasterone","w/o MS2:NCGC00380129-01![6-[6-[6-[4,5-dihydroxy-6-[(2E,6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoxy]-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate","4-Hydroxybenzaldehyde","w/o MS2:Napropamide","w/o MS2:monoolein","w/o MS2:NCGC00180102-02!(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide [IIN-based on: CCMSLIB00000849073]","w/o MS2: EP_M451","w/o MS2:Nylidrin","w/o MS2:Arenobufagin","w/o MS2:Corynoxeine","w/o MS2:Dimethachlor CGA369873","w/o MS2:URACIL 5-CARBOXYLATE","w/o MS2:TEB_M388","w/o MS2:MMV676406","w/o MS2:NCGC00380618-01_C27H32O8_(1'R,3'R,8'R,12'E,18'E,20'Z,24'R,25'S)-5',13',25'-Trimethyl-11'H,17'H,22'H-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,18,20]tetraene]-11',17',22'-trione","w/o MS2:\"12b-O-[non-2Z,4E-dienoyl]-13_-isobutyroyloxy-7-oxo-5-ene-4b-phorbol\"","w/o MS2:4-(5-(1-(2,4-dihydroxy-6-methylpyridin-3-yl)-3-methoxy-3-oxopropyl)furan-2-yl)benzoic acid","w/o MS2: NCGC00380898-01!(2E,4E,14E)-13-hydroperoxy-1-piperidin-1-ylicosa-2,4,14-trien-1-one","w/o MS2:Exemestane","w/o MS2:NCGC00380113-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","w/o MS2: Riboflavin","w/o MS2:beta-Tocotrienol","w/o MS2:docosanoic acid","w/o MS2:(2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-3-methyl-N-(1-methyl-2-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-5-yl)pentanamide","Ranaconitine","w/o MS2:NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid [IIN-based on: CCMSLIB00000847546]","w/o MS2:5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid","w/o MS2:dihydrocapsaicin","w/o MS2:CYTIDINE","w/o MS2: Aconine","w/o MS2: Taurocholate; LC-ESI-QTOF; MS2; CE","w/o MS2:Imatinib Mesylate","w/o MS2:NCGC00384709-01_C34H38O14_Methyl (3Z)-2-(beta-D-glucopyranosyloxy)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate","w/o MS2:GUAIAZULENE","w/o MS2:Serine-Cholic Acid","w/o MS2:lecanoric acid","w/o MS2:Sinensetin","2-Oxobutyric Acid","w/o MS2:MMV689709","w/o MS2:NCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid [IIN-based on: CCMSLIB00000848219]","w/o MS2:Simvastatin 2M+NH4","w/o MS2:Oxamniquine","w/o MS2:Tunicamycin B","w/o MS2:Tunicamycin D","w/o MS2:MLS001332652-01!Flunisolide3385-03-3","w/o MS2:Theanine","w/o MS2:Cytidine","w/o MS2:NCGC00380161-01_C20H28O12_6-O-(Phenylacetyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside","w/o MS2:\"12b-O-[non-2E,4Z-dienoyl]-13_-methylbutyroyloxy-4b-phorbol\"","w/o MS2:Mevalonic Acid Lactone","w/o MS2:C11H15NO2; PlaSMA ID-597","w/o MS2:1,2-dihydroxyheptadec-16-en-4-yl acetate","Pyridine","w/o MS2:Methohexital","w/o MS2:Desacetyl (7)Khivorinic Acid, Methyl Ester","w/o MS2:(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate","w/o MS2: Cucurbitacin E","w/o MS2:Rhodojaponin III","w/o MS2:N,N-dimethyl-7H-purin-6-amine","w/o MS2:Flavone base + 3O, C-Pen-FeruloylHex","w/o MS2:Chloramphenicol","w/o MS2:NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol [IIN-based: Match]","w/o MS2:beta-penta-O-galloyl-glucose","w/o MS2:NCGC00385868-01_C14H18O9_4-(Hexopyranosyloxy)-3-methoxybenzoic acid","w/o MS2: (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","w/o MS2:NCGC00384771-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4,4,6,6-tetramethyl-2-(2-methylprop-1-enyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","w/o MS2:Acetyllobodirin","w/o MS2:Asp-Phe","w/o MS2:MLS001074095-01!50-22-6","w/o MS2:7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","w/o MS2:MMV020289","w/o MS2:\"3-((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid\"","w/o MS2:Fluvoxamine","w/o MS2:taurocholic acid","w/o MS2:Pinacidil","w/o MS2:Xanthosine-5?-monophosphate disodium salt","w/o MS2: Di-dihydrocaffeoyl spermidine; PlaSMA ID-2573","w/o MS2:NCGC00347752-02![2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate","w/o MS2: Sodium Tetradecyl Sulfate","w/o MS2:\"NCGC00160263-01!2-(3-Methyl-5-oxo-2,5-dihydro-furan-2-ylmethyl)-quinoline\"","w/o MS2:NCGC00384846-01!2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid","w/o MS2: 4-[[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione","w/o MS2:(8R,10R,11S,11aS,13S)-9-ethyl-8,13-dihydroxy-7-(2-(((10S,13R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-oxoethyl)-5-methyl-5,5a,6,7,8,9,10,11,11a,12-decahydro-6,10:11,12a-dimethanoindolo[3,2-b]quinolizin-7-ium bromide","w/o MS2:3Alpha-Hydroxy-3-Deoxyangolensic Acid Methyl Ester","w/o MS2:5-(2-((10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide","w/o MS2:NCGC00384805-01!","w/o MS2:MLS000069478-01!CORTISONE ACETATE","w/o MS2:vincarine","w/o MS2:Fangchinoline","w/o MS2:rel -Methylenedioxy-tetramethoxy-epoxylignan","w/o MS2:NCGC00380828-01_C20H28O3_","w/o MS2:[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylate","w/o MS2:NCGC00384768-01![(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000847960]","w/o MS2:NCGC00384804-01_C20H30O11_2-(4-Methoxyphenyl)ethyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside","w/o MS2:[(3aS,4S,5S,6E,10E,11aR)-6-formyl-5-methoxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate","w/o MS2:NCGC00347728-02!3-(5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid [IIN-based on: CCMSLIB00000848449]","gamma-Glutamylleucine","caudatin","w/o MS2:Thymol","w/o MS2:Calcimycin","w/o MS2:Syrosingopine","w/o MS2:OXONITINE","w/o MS2:Swertiamarin","w/o MS2:\"11,12-epoxy-3,7-cembratrien-2,4-olide\"","w/o MS2:O-ACETYL-L-CARNITINE","w/o MS2:NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000846934]","S-Adenosyl-L-homocysteine","w/o MS2:NCGC00380601-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide","w/o MS2:NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid","w/o MS2:Linagliptin (BI-1356)","Phenylacetaldehyde","w/o MS2:Ethyl 2-cyano-3,3-diphenylacrylate","w/o MS2:Picfeltarraenin IA","w/o MS2:4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)-2-phenylacetate","w/o MS2:Vercuronium","w/o MS2:CE-108E","w/o MS2:TOBRAMYCIN","w/o MS2:Isoferulic Acid","w/o MS2:5-(4-acetyloxy-3-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoic acid","w/o MS2:Obtucarbamate A","w/o MS2:6-beta-Hydroxycortisol","w/o MS2:Secoisolariciresinol","w/o MS2:Waikialoid A_130022","w/o MS2: Pellasoren A","Higenamine hydrochloride","w/o MS2:5,7-dihydroxy-3-phenyl-4H-chromen-4-one","w/o MS2: Talatisamine","w/o MS2:NCGC00380959-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate","w/o MS2:Proline-hydroxyproline","w/o MS2:1-(3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-7-hydroxy-2-methyl-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminium chloride","w/o MS2:OCP_283.0845_16.2","w/o MS2:Betamethasone dipropionate","w/o MS2:3a-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid","O-ACETYLCARNITINE","NCGC00180384-03_C22H32O6_(1S,2R,4aR,8aR)-1-Acetoxy-7-isopropylidene-1,4a-dimethyl-6-oxodecahydro-2-naphthalenyl 2,3-dimethyl-2-oxiranecarboxylate","w/o MS2:Picfeltarraenin IV","w/o MS2:\"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one\"","w/o MS2:[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate","w/o MS2:1-AMINOCYCLOPROPANE-1-CARBOXYLATE","w/o MS2: Dehydro fucoxanthin acetate; FAB-EBEB; MS2; m/z","w/o MS2:Branched T-peptide N-acetyl-ESL(KNFI)DQYG-NH2","w/o MS2:Aconitine","w/o MS2:Phenazine-1-carboxylic acid","w/o MS2: MLS001157745-01!(2S)-1-[(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid","w/o MS2:76-25-5","w/o MS2:Xanthine; CE0; LRFVTYWOQMYALW-UHFFFAOYSA-N","w/o MS2:7-hydroxymitragynine","NCGC00385106-01_C18H26O10_beta-D-Glucopyranoside, phenylmethyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:NCGC00381227-01_C31H40O10_","w/o MS2:NCGC00384698-01![(6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxoheptan-2-yl] acetate","w/o MS2:8-Oxoerythraline","w/o MS2:ethyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanoate","w/o MS2:NCGC00169078-03_C20H28O7_2-Butenoic acid, 4-hydroxy-2-methyl-, (1R,5S,6S)-3-(hydroxymethyl)-6-(1-methylethyl)-5-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-3-cyclohexen-1-yl ester, (2E)-","w/o MS2:Tetraglyme","w/o MS2:legonoxamine C","w/o MS2:Methylophiopogonone A","w/o MS2:Imazamox","w/o MS2:NCGC00381071-01!1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000848996]","w/o MS2:Azelastine","w/o MS2:Luteolin C-glucoside C-xyloside","w/o MS2:MYOSMINE","N,N-Dimethyldodecylamine N-oxide","w/o MS2: Tetrahydrozoline HCl","w/o MS2:2-(non-1-en-1-yl)quinolin-4-ol:Series 2 HAQ C9:1","w/o MS2: Dihydrojasmone; LC-ESI-QTOF; MS2; [M+H]+; CE","Calycanthine","w/o MS2:Indarubicin","w/o MS2:Neoruscogenin","w/o MS2:C16H25NS","w/o MS2:Fenofibric acid","w/o MS2:(2Z,6E,10Z)-12-acetyloxy-10-(acetyloxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid","w/o MS2:allo-Protolichesterinic acid","w/o MS2:2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde","w/o MS2:3-methyl-6-(2-methylpropyl)piperazine-2,5-dione","Guanosine-3',5'-cyclic monophosphate","w/o MS2:Leoidin","w/o MS2:(Z)-methyl 2-(2-(3-hydroxy-4-methoxybenzylidene)-3-oxo-3,11-dihydro-2H-furo[2',3':5,6]chromeno[2,3-b]pyridin-11-yl)acetate","w/o MS2:Curdione","w/o MS2:NCGC00380397-01_C25H39NO3_(7E)-3-Isobutyl-13-methoxy-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","w/o MS2:(S)-4-(((1R,2S,3S,4R,5S)-5-amino-2-(((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6R)-6-(ammoniomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)amino)-3-hydroxy-4-oxob...","w/o MS2: Ginkgolic Acid C17-1","w/o MS2:Eupalinilide D","w/o MS2:3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one","w/o MS2:Schizopeltic acid","w/o MS2:Febuxostat (Uloric)","w/o MS2: pinolidoxin","w/o MS2:3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxychromen-4-one","w/o MS2:(2R,3S)-7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol","w/o MS2:NCGC00179791-03!1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one [IIN-based on: CCMSLIB00000845973]","w/o MS2:14-deoxy-11,12-dihydroandrographolide","w/o MS2:DEP_216.1383_16.4","w/o MS2: SphingomyelinSM_d18_0_18_1_9Z","w/o MS2:2-Methylnaphtho(1,2-d)thiazole","w/o MS2:NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide [IIN-based on: CCMSLIB00000847776]","w/o MS2:(3R)-4,4-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one","w/o MS2:MMV026490","w/o MS2:Octyl acetate","w/o MS2:Pesticide2_Oxamyl_C7H13N3O3S_VYDATE","w/o MS2:Pesticide4_Fenazaquin_C20H22N2O_4-{2-[4-(2-Methyl-2-propanyl)phenyl]ethoxy}quinazoline","w/o MS2:Reserpine","w/o MS2:Entandrophragmin","w/o MS2: 3-(benzo[d][1,3]dioxol-5-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate","w/o MS2:Caffeine,Anhydrous","w/o MS2:Pesticide4_Picoxystrobin_C18H16F3NO4_Acanto","w/o MS2:9-[hydroxy-(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone","w/o MS2:Muronic acid","w/o MS2:Platycodigenin","w/o MS2:HYDROQUINIDINE","w/o MS2:[(1aR,1bS,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-6-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate","w/o MS2:NCGC00380254-01_C17H21N3O3_10b-Hydroxy-3-isobutyl-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione","w/o MS2:(1S,5S)-N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide","w/o MS2:hexylphenazolone","w/o MS2:NALOXONE","w/o MS2:methyl (4S,5Z,6S)-5-(2-acetyloxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","w/o MS2:NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","w/o MS2: Alisol B Acetate","w/o MS2:NCGC00385009-01!(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid","w/o MS2: NCGC00386007-01_C33H48O10_(2alpha,5alpha,9alpha,10beta,14beta)-2,5,9,10-Tetraacetoxytaxa-4(20),11-dien-14-yl 2-methylbutanoate","w/o MS2:NCGC00347584-02!5-chloro-2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde","w/o MS2:(S)-2-((S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-3-methylbutanamido)-3-(1H-indol-3-yl)propanoic acid","panaxatriol","w/o MS2:D-Sphingosine","w/o MS2:DIGOXIN","w/o MS2:threonine conjugated cholic acid","w/o MS2:Monensin A, Na salt","w/o MS2:3-Didehydro-5-dehydroxyhydratoperidinin","w/o MS2:4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside","w/o MS2:Emetine Hydrochloride","w/o MS2:SANGUINARINE SULFATE","w/o MS2:N-alpha-(tert-Butoxycarbonyl)-L-histidine","w/o MS2: ERGONOVINE MALEATE","w/o MS2:Daucosterol;Sitogluside","w/o MS2: 1-Monostearin","w/o MS2: Atrazine-2-hydroxy; LC-ESI-ITFT; MS2; CE","w/o MS2:1,4-dioxacyclohexadecane-5,16-dione","w/o MS2:NCGC00380427-01_C26H31N3O4_6b-Hydroxy-2,2-dimethyl-14a-(2-methyl-3-buten-2-yl)-2,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[3,2-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione","w/o MS2:emetine","w/o MS2:Bimatoprost","w/o MS2:TRANS-CINNAMATE","w/o MS2:(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25,29,31-tetraoxo-28-(pyrrolidin-1-yl)-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1^{4,7}.1^{15,19}.0^{5,30}]tritriaconta-1,3,5(30),9,21,23,27-...","w/o MS2:NCGC00380939-01_C12H11N3O3_[2,2'-Bipyridine]-6-carboxamide, 3-hydroxy-4-methoxy-","w/o MS2:Biliverdin","Pantothenate","w/o MS2:Bendamustine HCL","w/o MS2:NCGC00380203-01_C26H30ClNO8_2-{7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-2(6H)-isoquinolinyl}pentanedioic acid","w/o MS2:4-Formylaminoantipyrine","w/o MS2:Guggulsterone E&Z","w/o MS2:NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based: Match]","w/o MS2: Pilocarpine","w/o MS2:Adenosine","w/o MS2:UNPD203664 (not validated)","w/o MS2:Shearinine D_130028","w/o MS2:Sildenafil - Dark Web Drugs","(2'R,5'R,9S)-4-hydroxy-5',6a,8a,9-tetramethylicosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-2(11aH)-one","Tricin","w/o MS2: Peucedanol","w/o MS2:PHOSPHOCHOLINE CHLORIDE","w/o MS2:Santonin","Octopine","w/o MS2: (2'R,4R,5'R,6aR,6bS,8aS,8bR,9S,11aS,12aR,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-ol","w/o MS2:Methiocholic acid putative","w/o MS2:4-N-methyllyaloside","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate","w/o MS2:Pesticide3_Iprovalicarb Isomer 1*_C18H28N2O3_Isopropyl [(2S)-3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxo-2-butanyl]carbamate","w/o MS2:NCGC00384571-01!(E)-3-(4-hydroxyphenyl)-N-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]amino]propyl]prop-2-enamide [IIN-based on: CCMSLIB00000847637]","w/o MS2: ethyl 3-(2,4-dihydroxy-6-methylpyridin-3-yl)-3-(3-hydroxyphenyl)propanoate","w/o MS2:(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Biotin (Vitamin B7)","w/o MS2:NCGC00384950-01!19-hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid","w/o MS2: Syringomycin E","w/o MS2:[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate","w/o MS2:N-((7S)-10-((1-(4-((4-hydroxyquinazolin-2-yl)methyl)piperazin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:NALOXONE HYDROCHLORIDE","w/o MS2:Yunantaxusin A","w/o MS2:(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl)methanol","w/o MS2:NCGC00180686-03_C36H56O14_Card-20(22)-enolide, 3-[(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-alpha-D-talopyranosyl)oxy]-1,14-dihydroxy-, (1beta,3beta,5beta,9xi)-","w/o MS2:Hexanoyl-L-Carnitine","w/o MS2:sclareol","w/o MS2:Epicatechin gallate","w/o MS2:\"(4Z,6E)-13-hydroxy-19-(hydroxymethyl)-12,23a-dimethyl-1,10,11,12,13,18,19,20,20a,23a-decahydrospiro[1,22-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-23,2'-oxirane]-3,8,14(16H,17H,22H)-trione_120091\"","w/o MS2:Tenuifolin","w/o MS2:(3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one","w/o MS2:Oxolinic acid","w/o MS2:N-desmethylpheniramine","w/o MS2:Rifaximin (Xifaxan)","w/o MS2: licoflavanone","w/o MS2:NCGC00380424-01_C10H9NO4_1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-8-oxo-","w/o MS2:Acaranoic acid","w/o MS2:Chloroquine","SPERMIDINE","w/o MS2:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[[(3S,4S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]oxane-3,4,5-triol","w/o MS2:Ranolazine (Ranexa)","Triptolide","w/o MS2:Scopoletin","w/o MS2:3-[(3S,5R,10S,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2:NCGC00169400-02!methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate [IIN-based on: CCMSLIB00000848099]","w/o MS2:NCGC00386107-01!(3E,5E)-2-(4-methoxy-4-oxobutyl)nona-3,5-dienoic acid","w/o MS2:MLS001074901-01!erythromycin ethylsuccinate","w/o MS2:NCGC00384666-01!(2S)-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one","w/o MS2:NCGC00384780-01![(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,10,11-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate","w/o MS2:Oxysporidinone_130003","w/o MS2:\"2-((3R)-3-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamido)ethane-1-sulfonic acid\"","w/o MS2:Swinholide F putative","w/o MS2:[(2S,3R,4R,5S,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","w/o MS2:\"CYTIDINE 2',3'-CYCLIC PHOSPHATE\"","w/o MS2:Magnoflorine","w/o MS2:(R,E)-2-((1-(6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrodibenzo[b,d]furan-2(3H)-ylidene)ethyl)amino)-N-(2-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl)acetamide","w/o MS2:Butafenacil","w/o MS2:Cystathionine","w/o MS2:Dihydrojasmone","Rifaximin","w/o MS2:Spectra matches to compound Tolaasin E","w/o MS2:Tetrahydrogambogic Acid","w/o MS2:Tris(2-hydroxyethyl) isocyanurate","w/o MS2:Umbelliferone","w/o MS2:Riboflavol","w/o MS2:MMV676395","w/o MS2:Nornicotine","w/o MS2:kapakahine B","w/o MS2:NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide","w/o MS2:7-amino-flunitrazepam","w/o MS2:14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0?,??.0?,?]hexadecan-5-ol","w/o MS2:2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","(E)-2-(2,4,5-trimethoxybenzylidene)-9-(2,3,4-trimethoxyphenyl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:(3R)-5-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]hexanoic acid","w/o MS2:Mimosamycin","w/o MS2:Methyl glucosyl-3,4-dehydro-apo-8'-lycopenate","w/o MS2:NCGC00385294-01_C28H36N2O4_6-Isoquinolinol, 1-[(3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl)methyl]-3,4-dihydro-7-methoxy-","w/o MS2:Andrastin (Putative_Observed from A. flavus)","w/o MS2: Propionic acid","w/o MS2:ADENINE","w/o MS2: ((5aR,5bR,11aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl acetate","w/o MS2:methyl 2-(4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate","1,10-Phenanthroline","w/o MS2: NCGC00381156-01_C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","w/o MS2:Pendimethalin","w/o MS2: Gabapentin; LC-ESI-ITFT; MS2; CE","w/o MS2:[(2S,3R,4S,5R,6S)-6-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate","w/o MS2:Betaine-Aldehyde","w/o MS2:Isolindleyin","w/o MS2:2-[(2r)-9-hydroxy-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl |A-d-glucopyranoside","w/o MS2:NCGC00169735-02!(5S)-5-hydroxy-1,7-diphenylheptan-3-one","w/o MS2:(2S,3S,4R,5R,6S)-2-((2S)-4-((4R,6R,6aR,8aS,9S,10R)-6-(((2R,3S,4S,5R)-4,5-dihydroxy-3-(((3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,10-dihydroxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-yl)-2-methylbutoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2:NCGC00380652-01_C25H34O7_7-Formyl-4,6'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-7'-yl acetate","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-4-formyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","w/o MS2:NCGC00384660-01!8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one [IIN-based on: CCMSLIB00000848272]","w/o MS2:5-isopropenyl-2-methyl-2-cyclohexen-1-yl acetate","w/o MS2:2-[[1-(4-nitrobenzoyl)pyrrolidine-2-carbonyl]amino]benzoic acid","w/o MS2: Ginkgolide B","w/o MS2:DIGOXIGENIN","w/o MS2:[(1R,3R,10S,13R,14S,17R)-3-[(2R)-5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-yl] acetate","w/o MS2: 1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone","w/o MS2:(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid","w/o MS2:MLS001076073-01!","w/o MS2:methyl 8,11,15,20,22-pentahydroxy-24-methyl-13,18,27-trioxo-6-oxaheptacyclo[15.10.2.0?,??.0?,??.0?,??.0?,??.0??,??]nonacosa-3,5(14),11,15,19,21(26),22,24,28-nonaene-7-carboxylate","w/o MS2:MMV688360","w/o MS2:Pesticide6_Fuberidazole_C11H8N2O_2-(2-Furyl)-1H-benzimidazole","w/o MS2:Trigonelline","w/o MS2:Scytophycin C","w/o MS2:Bifonazole","w/o MS2:NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848029]","w/o MS2:MMV688362","w/o MS2:Indole-3-acetyl-L-isoleucine","w/o MS2:MMV676383","w/o MS2: MLS001140929-01!","w/o MS2: Phenylpropanolamine","w/o MS2:MMV676384","w/o MS2:NCGC00380112-01!2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one","w/o MS2:MMV676380","w/o MS2:NCGC00385240-01!9-(4-hydroxy-3,5-dimethoxyphenyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","w/o MS2:Fuziline","w/o MS2:NCGC00381440-01!(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid","w/o MS2:MMV676382","Vincamin","w/o MS2:NCGC00169902-02_C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)-","w/o MS2:NCGC00380937-01_C31H40O10_(1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0~2,4~.0~4,13~.0~5,10~]octadec-17-yl 2-methylpropanoate","w/o MS2: (+-)-Jasmonic acid","w/o MS2:Hirsuteine","w/o MS2:2-Phenylethyl b-D-glucopyranoside","w/o MS2:Nervonic Acid","w/o MS2:Agaric Acid","w/o MS2:[5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] acetate","w/o MS2:(4aR,5R,6aS,6bR,10S,12aR)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:NCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","w/o MS2:DAH-3-Keto-4-en","w/o MS2:NCGC00016425-09!6,7-dihydroxychromen-2-one [IIN-based on: CCMSLIB00000845335]","w/o MS2:NCGC00386062-01!(3S,6R,12S)-6-benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","w/o MS2:(6R,7R)-7-azaniumyl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate","2,6-di-tert-Butylphenol","Nicotinic acid","w/o MS2:4-methylumbelliferyl acetate","w/o MS2: DErySphingosine; LC-ESI-ITFT; MS2; CE 10 eV; [M+H]+","w/o MS2:Flonicamid","w/o MS2:7-beta-Hydroxylathyrol","w/o MS2:NCGC00169169-02![3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trimethoxybenzoate","w/o MS2:Shikimic Acid","w/o MS2:\"2-((4R)-N-benzyl-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid\"","w/o MS2:Picraline","w/o MS2:Phenylalanine conjugated chenodeoxycholic acid","w/o MS2:[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate","w/o MS2:glutamate conjugated chenodeoxycholic acid","w/o MS2:Acetyl tributyl citrate","w/o MS2:C18(Plasm)-18:1 PC","w/o MS2: Deoxymyxol 2'-(2,4-di-O-methyl-fucoside); FAB-EBEB; MS2; m/z","4-(3-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,14-dihydroxy-13-methyl-10-((E)-((pyridin-3-ylmethyl)imino)methyl)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:N-(1-oxo-1-(3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)propan-2-yl)furan-2-carboxamide","w/o MS2:NCGC00385068-02_C20H28O13_Benzoic acid, 4-methoxy-2-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-, methyl ester","w/o MS2:(R)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate","w/o MS2:cytosine","w/o MS2:Glomeratose A","w/o MS2: Sorbitol","w/o MS2: C17-Sphinganine","w/o MS2:NCGC00160275-01!RESISTOMYCIN","w/o MS2:Aspicilin","w/o MS2: Tomatidine HCl","w/o MS2:Antillatoxin B","w/o MS2:Trilostane","w/o MS2: Ceridimine","w/o MS2:Beta-Ecdysterone","w/o MS2:Pymetrozine","w/o MS2:C34H40N4O8; PlaSMA ID-3086","w/o MS2:Nephromopsic acid","w/o MS2:NCGC00384918-01_C29H40O9_(1R,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,15aR)-3a,11,11a-Trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde","w/o MS2:Doxepin","w/o MS2:heptylphenazolone","w/o MS2:[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate","w/o MS2: MMV676588","w/o MS2:PHYSOSTIGMINE SALICYLATE","w/o MS2:Carbazole","w/o MS2:Leptosin A_130037","w/o MS2:Methyl cinnamate","w/o MS2:brassinolide","w/o MS2:NCGC00380259-01!2-[[4-[4,6-dihydroxy-3-(3-methylbut-2-enyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","S-Citramalic acid","w/o MS2:Picropodophyllin","w/o MS2:LEVODOPA","w/o MS2:Methylglycinate","w/o MS2:NCGC00180485-03_C21H32O4_(5beta,8alpha,9beta,10alpha,13alpha)-18-Methoxy-18-oxokauran-17-oic acid","w/o MS2:NCGC00160195-01!2-(5-Hydroxymethyl-8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol","w/o MS2:Benzanilide","ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE","w/o MS2:triptophenolide","w/o MS2:DL-Hexanoylcarnitine","w/o MS2:[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate","w/o MS2:Aziprotryne","w/o MS2: LPE 18:1; PlaSMA ID-2600","w/o MS2:(2S,3S,4R,5R,6S)-2-(((2aR,4S,5aS,7S,11aR,12aS)-4-hydroxy-2a,5a,8,8-tetramethyl-3-((2R,5S)-2-methyl-5-(2-(((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)tetrahydrofuran-2-yl)-9-(((3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)hexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2: Isoferulic Acid","w/o MS2:Microsphaerone C_120103","w/o MS2: PAF (Platelet Activating Factor)","w/o MS2:\"Lacidipine (Lacipil, Motens)\"","PyroglutamylIsoleucine (isomer of 1005)","w/o MS2:galbulin","w/o MS2:Leucodin","w/o MS2:8-hydroxy-2-oxo-1(10),3-guaiadiene-12,6-olide, Ac","w/o MS2: NCGC00380106-01_C31H48O16_alpha-D-Glucopyranoside, 4-O-acetyl-6-O-(2-methyl-1-oxobutyl)-1-O-(3-methyl-1-oxobutyl)-beta-D-fructofuranosyl 2-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-, 6-acetate","w/o MS2:Mizolastine (Mizollen)","w/o MS2:NCGC00169459-03_C27H38O8_1-Phenanthrenecarboxylic acid, 4,8,9-tris(acetyloxy)-7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, (1R,4S,4aS,7R,8S,9R)-","w/o MS2: NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol","w/o MS2:(-)-Scopolamine","w/o MS2: Dihydropiplartine","w/o MS2: phenylethylamide 359","w/o MS2: (6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol","w/o MS2:4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one","w/o MS2:Dimethyl ketal of oxysporidinone_130004","w/o MS2:NCGC00380154-01!","2-Hydroxyquinoline","w/o MS2:NCGC00169062-04_C16H18O6_3H-Oxireno[h][3]benzoxacyclododecin-7,13(2H,8H)-dione, 1a,4,5,13a-tetrahydro-10,12-dihydroxy-5-methyl-","w/o MS2:NCGC00380882-01!5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde","w/o MS2:[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate","cordycepin","w/o MS2:2,4-dihydroxyheptadec-16-enyl acetate","w/o MS2:NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","w/o MS2:NCGC00380874-01!(3-chloro-2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone","w/o MS2:2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Dalbergione","w/o MS2:h_2_etiocholanolone","w/o MS2:Penigequinolones A and B (diastereomers)_120177","w/o MS2:Histidine-betaxanthin","w/o MS2:methyl 3-(3-hydroxy-5-(4-methoxybenzyl)-1H-pyrazol-4-yl)-3-(pyridin-3-yl)propanoate","w/o MS2:Fluocinolone acetonide","(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid","w/o MS2:\"methyl (6R,E)-2-methyl-6-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-2-enoate\"","w/o MS2:[Gln1]-moroidin-[QLLVWRAH]","11-(phenylcarbonyl)-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one","w/o MS2:Pyrocatechol","w/o MS2:C16H21NO4; PlaSMA ID-1465","w/o MS2:(3R,4R,6S,6aS,8R,9R,10S,11S,11aR,12R,13R)-11a-acetoxy-4-(2-chloroacetoxy)-1-ethyl-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate","Glycyrrhizic acid","w/o MS2:Lanosterol","w/o MS2:karakoline","w/o MS2:(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0?,??.0?,?.0??,??]icosane-5,15-dicarboxylic acid","w/o MS2:Baccatin I","w/o MS2:Pristimerin derivative","w/o MS2:8-Deacetyl yunaconitine","w/o MS2:3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","w/o MS2:Quercetin-3-O-beta-D-galactoside","w/o MS2: Phosphocholine; LC-ESI-QTOF; MS2; CE","w/o MS2:NCGC00380673-01!4-[1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol [IIN-based on: CCMSLIB00000845840]","w/o MS2:NCGC00180532-02!(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000848005]","w/o MS2: 4-hydroxycoumarin","w/o MS2:NCGC00385530-02!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid","w/o MS2:(1S,2R,4aS,6aR,6bR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid","w/o MS2: (E)-3-(4-acetyloxy-2,3-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)prop-2-enoic acid","w/o MS2:Phytolaccagenin","w/o MS2:Tussilagone","w/o MS2:NCGC00180659-03![1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based on: CCMSLIB00000845212]","w/o MS2:NCGC00386106-01_C16H22O4_(1R,2E,6S,10E,11aS,14aR)-1-Hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione","w/o MS2:delta-tocopherol","w/o MS2:Glycyrrhizic acid ammonium salt","w/o MS2: Palmitoleoyl Ethanolamide","w/o MS2:Phenylalanine","w/o MS2:Europine","w/o MS2: Scopoletin","w/o MS2:\"NCGC00160325-01!6,7-Dimethoxy-1-phenyl-3,4-dihydro-isoquinoline\"","w/o MS2:O-Tigloylgymnemagenin, 21-","w/o MS2:3-Hydroxy-3-methylglutarate","w/o MS2:4-chloro-3-(5-(7-chloro-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-2',3,4'-trioxo-2',3',4',5',8',9'-hexahydro-1'H,3H-spiro[benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl)furan-2-yl)benzoic acid","w/o MS2:NCGC00380169-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid","w/o MS2:NCGC00380813-01!methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate","w/o MS2:NCGC00380395-01_C29H42N4O6_5-Carbamimidamido-2-(4,6'-dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl)pentanoic acid","w/o MS2:(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one","w/o MS2:Flucarbazone","w/o MS2:(3S,4R,6aR,6bS,8aS,11R,12R,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid","w/o MS2: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","w/o MS2: SMZ-PtO","w/o MS2:4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-1H-pyrazol-5-yl)-6-propylbenzene-1,3-diol","w/o MS2:Tobramycin, inactivated by 2'' phosphorylation","w/o MS2:NCGC00384714-01!(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol [IIN-based: Match]","w/o MS2:NCGC00385794-01_C30H46O9_(3beta,5beta)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide","w/o MS2:Zeaxanthin","w/o MS2:Enniatin A1","w/o MS2:Benzomalvin A_120259","w/o MS2:axinastatin 3","w/o MS2:Propachlor","w/o MS2:NCGC00385391-01_C21H38O10_2-[2,3,8-Trihydroxy-8-(hydroxymethyl)-3-methyldecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranoside","w/o MS2:3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","w/o MS2:Prosapogenin A","w/o MS2:9,13-Epoxy-3,15,16,18-labdanetetrol","w/o MS2:Bufotalin","GLYCOCHOLATE","w/o MS2:NCGC00385003-01!4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid [IIN-based: Match]","w/o MS2:NCGC00179731-03!4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid [IIN-based on: CCMSLIB00000847088]","w/o MS2:Homoaromoline","w/o MS2:KETOROLAC","w/o MS2:N-(1,3-dihydroxyoctadec-4-en-2-yl)tetradecanamide","NCGC00169940-02!3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","w/o MS2:Asperphenamate_120258","w/o MS2:pentacosanoic acid","w/o MS2: NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate","w/o MS2: Dehydroepiandrosterone","w/o MS2: 6-(methylamino)hexane-1,2,3,4,5-pentaol","w/o MS2: Terpestacin_130136","w/o MS2:4-beta,5-dihydro-2',3'-epoxy-15-deoxy-goyazensolide","w/o MS2:(2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","w/o MS2:4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol","w/o MS2:2-(2-Aminoethyl)pyridine","w/o MS2:DEOXYGUANOSINE","w/o MS2: 11,12-dihydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-1H,2H,3H,4H,6aH,9H,10H,11H,12H,13H,14H,15H,15bH-cycloundeca[e]isoindole-1,15-dione","w/o MS2: linoleic acid","w/o MS2:taurohyocholic acid","w/o MS2:12-Cytisineacetamide","w/o MS2:MLS001333570-01!55297-96-6","w/o MS2:(2'R,4R,5'R,6aR,6bS,8aS,8bR,9S,11aS,12aR,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-ol","w/o MS2:4-Aminomethylcyclohexanecarboxylic acid","4,4'-Methylenebis(2-methylaniline)","w/o MS2: (E)-1-(3,4-dihydroxy-2,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one","N-Methyldodecylamine","w/o MS2:(S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one","w/o MS2:MMV008439","w/o MS2:Methocarbamol","w/o MS2:NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one","w/o MS2:NCGC00384828-01! [IIN-based on: CCMSLIB00000848970]","w/o MS2:3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one","w/o MS2:NCGC00380117-01_C27H41NO4_(7E)-3-Isobutyl-4,5,8,12,12-pentamethyl-3,3a,4,6a,9,10,10a,13a,14,15-decahydro-1H-[1,3]dioxolo[7,8]cycloundeca[1,2-d]isoindole-1,16(2H)-dione","w/o MS2:NCGC00380693-01_C25H35NO6_3-[4-({2-[(2E)-2-Buten-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-3-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-hydroxy-2-methylpropanoic acid","w/o MS2:Dienogest","w/o MS2:\"(3S,5R,7R,9S,10S,13R,14S,17R)-17-((2R)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol\"","w/o MS2:(2R,3R,4S,6R)-6-((10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl acetate","w/o MS2: NCGC00380338-01_C20H30O4_Spiro[naphthalene-1(2H),2'-oxirane]-2,3-diol, 5-[2-(3-furanyl)ethyl]octahydro-5,6,8a-trimethyl-, (1R,2S,3R,5S,6R,8aR)-","w/o MS2:\"((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine\"","w/o MS2:D-2-Aminobutyrate","w/o MS2: NCGC00385107-01_C23H32O9_Cyclohexaneacetic acid, 6-[4-(acetyloxy)-3-hydroxy-2-methylene-1-oxobutoxy]-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester","w/o MS2: (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione","w/o MS2:Diploicin","2-Phenylacetamide","w/o MS2:AMP","w/o MS2:(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol","w/o MS2: D-Sorbitol; LC-ESI-QTOF; MS2; CE","w/o MS2:NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","w/o MS2: methyl 3-(6-((4-formylpiperazin-1-yl)methyl)-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)propanoate","w/o MS2:Vildagliptin (LAF-237)","w/o MS2:h_150_7a_hydroxy_dhea","w/o MS2:(1R,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid","w/o MS2:Triacylglycerol 10:0-16:0-18:1","w/o MS2:HYDRASTINE (1R, 9S)","w/o MS2:Eudesmin","w/o MS2:Nordeprenyl","Gomisin H","w/o MS2:N-isopentyl-2-(3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl)acetamide","w/o MS2:ugaferin","w/o MS2:C11H12O3; PlaSMA ID-584","w/o MS2:NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","w/o MS2:Boldenone_Undecylenate","w/o MS2:(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0~4,6~]dodecane","w/o MS2:(2S,3R,4S,5S,6R)-2-[[(1S,4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2: ursodeoxycholic acid","w/o MS2:GUANIDINOSUCCINATE","w/o MS2:NCGC00380614-01_C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)-","w/o MS2:\"2-(2-((4R)-4-((3R,5R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetamido)ethane-1-sulfonic acid\"","w/o MS2:pregn-4-ene-3,20-dione","w/o MS2:7-methyl-2-phenylquinoxaline","w/o MS2:NCGC00384697-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate","w/o MS2:NCGC00169059-03_C21H24N2O4_Spiro[3H-indole-3,6'(10'H)-[1H]pyrano[3,4-f]indolizine]-4'-carboxylic acid, 1,2,4'a,5',5'a,7',8',10'a-octahydro-1'-methyl-2-oxo-, methyl ester","w/o MS2: Lovastatin","w/o MS2:Benztropine mesylate","w/o MS2:NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","w/o MS2:gamma-Glutamyltyrosine","w/o MS2:{3,4,5-triacetyloxy-6-[5-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2 H-3,4,5,6-tetrahydropyran-2-yl}methyl acetate","w/o MS2:NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate [IIN-based on: CCMSLIB00000848076]","w/o MS2:Epiafzelechin Trimethyl Ether","w/o MS2:NCGC00381031-01_C36H56O10_Olean-12-en-28-oic acid, 3-(beta-D-glucopyranuronosyloxy)-23-hydroxy-, (3beta,5xi,9xi,18xi)-","w/o MS2:Allantoic acid","w/o MS2:MMV010764","w/o MS2: SPI_270.2429_14.9","w/o MS2:[2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate","w/o MS2:NCGC00385631-01!6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one","w/o MS2:Arachidonyl dopamine","2-Methylpyrrolidine; CE30; RGHPCLZJAFCTIK-UHFFFAOYSA-N","w/o MS2:lapachol","w/o MS2:Canarione dimethylether","w/o MS2:C15H19NO6; PlaSMA ID-1635","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,12aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid","w/o MS2:2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one","w/o MS2:NCGC00381116-01!(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid","w/o MS2:NCGC00381325-01![3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate","w/o MS2:Myristoyl Ethanolamide","w/o MS2:4-((3S,5S,10R,13R,14S,17S)-3-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,14-dihydroxy-10-(hydroxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:NCGC00386093-01_C34H43N3O6_","w/o MS2:(+-)-alpha-Tocopherol","w/o MS2:NCGC00347810-02![5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate","w/o MS2:(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid","w/o MS2:veratroylzygadenine","w/o MS2:(S)-7-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)-2-oxoethoxy)-2-methyl-3-phenyl-4H-chromen-4-one","w/o MS2: glycoursodeoxycholic acid","w/o MS2:NCGC00380637-01_C28H34O8_2(5H)-Furanone, 5-[(1S,2S,3R,4R,7S)-5,7-dihydroxy-4,7-dimethyl-8-oxo-6-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-3-[(4E)-1-oxo-4-hexen-1-yl]bicyclo[2.2.2]oct-5-en-2-yl]-4-hydroxy-3,5-dimethyl-, (5R)-","w/o MS2:NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone [IIN-based on: CCMSLIB00000845034]","w/o MS2:NCGC00385522-01!7-hydroxy-6,8-dimethoxychromen-2-one","w/o MS2:C15H25NO7; PlaSMA ID-1809","w/o MS2: 5-hydroxy-7-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethoxy)-2-phenyl-4H-chromen-4-one","Velvione","w/o MS2:[5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate","w/o MS2:1,2-Didehydromiltirone","w/o MS2: Rhynchophylline","w/o MS2: Galangin","w/o MS2:Cocaethylene","w/o MS2: MLS000766260-01!Oxotremorine","w/o MS2: 5-BUTYLPYRIDINE-2-CARBOXYLIC ACID","w/o MS2:5-amino-2-(3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl)-5-oxopentanoic acid","w/o MS2:\"2-(2-((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetamido)ethane-1-sulfonic acid\"","w/o MS2:(3aS,5aS,9bR)-5a,9-dimethyl-3-methylidene-3a,4,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2,5-dione","w/o MS2:2,2'-Dithiodipyridine","w/o MS2:Aspergillusenes A","w/o MS2:Indomethacin","w/o MS2:5'-Methylthioadenosine","w/o MS2:L-Phenylalanine","w/o MS2:Atazanavir sulfate","w/o MS2:NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]","w/o MS2: Oleamide","w/o MS2:Benzomalvin B_120255","w/o MS2:NCGC00347545-02!5-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one","w/o MS2:NCGC00381349-01_C11H13NO5_1H-Pyrrole-3-propanoic acid, 5-acetyl-4-(carboxymethyl)-","w/o MS2:2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one","glycocholic acid","w/o MS2:N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine","w/o MS2:C14-homoserine lactone","w/o MS2:Apigenin-7-O-glucoside","w/o MS2:Lidocaine","w/o MS2:(6aS)-1,2,10-trimethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-9-ol","w/o MS2:Euphorbiasteroid","w/o MS2:(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide","w/o MS2:NCGC00347775-02!(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid","w/o MS2:Aurilide B","w/o MS2:Anabaenopeptin A","w/o MS2:Anabaenopeptin B","w/o MS2:MMV026356","w/o MS2: Dyclonine hydrochloride","w/o MS2:Glomellic acid","w/o MS2:\"(3R,6R)-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptane-1,3-diyl diacetate\"","w/o MS2:NCGC00180730-03_C22H33NO6_(5aS,9S,9aR)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate","w/o MS2:NCGC00169490-02!3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione","w/o MS2: MEX_180.1383_11.9","w/o MS2: Oleandrin","w/o MS2:NCGC00180613-03!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone [IIN-based on: CCMSLIB00000848942]","w/o MS2:Perindopril","w/o MS2:(1S,3R,4S,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid","w/o MS2:karakin","w/o MS2:diacetoxyscirpenol","w/o MS2:PC(16:0/18:1(9Z))","w/o MS2:sumaresinolic acid","w/o MS2:5'-(furan-3-yl)-4a-hydroxy-4,7-dimethylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-2,2'-dione","w/o MS2:Quinapril hydrochloride (Accupril)","D-Pantothenic Acid","w/o MS2:N-Acetyl-leucine","w/o MS2:NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based on: CCMSLIB00000847318]","w/o MS2:Carbmazepine","w/o MS2:NCGC00380094-01!4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid","w/o MS2:Triacetin","w/o MS2:Indole-3-pyruvic acid","w/o MS2:sophocarpine","w/o MS2:Hoodigoside K","w/o MS2:(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","w/o MS2:L-beta-Homotryptophan","w/o MS2:NCGC00380134-01_C25H30O8_3-Furancarboxylic acid, (3R,5S,5aS,6S,9aR)-octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,6-diyl ester","w/o MS2:Thiamine monophosphate chloride dihydrate","w/o MS2:2-Isopropyl-6-methyl-pyrimidin-4-ol","w/o MS2:Taxinine B","w/o MS2:[3-(13-methyltetradecyl)-5-sulfooxyphenyl] hydrogen sulfate","w/o MS2:Epifriedelanol","w/o MS2:[(2S,3S)-2-[(E,3R,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate","w/o MS2:5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one","w/o MS2:Malic acid","w/o MS2:(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-furo[2,3-e]isoindole]-6'-one","L-NORVALINE","w/o MS2:O-PHOSPHO-L-SERINE","w/o MS2:Triethylene glycol bis(2-ethylhexanoate)","w/o MS2:ethyl 3-(2,4-dihydroxy-6-methylpyridin-3-yl)-3-(3-hydroxyphenyl)propanoate","w/o MS2:Nicotinamide","w/o MS2:Orotidine 5'-monophosphate","w/o MS2:Alanine conjugated cholic acid","w/o MS2:NCGC00169550-02!(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide","w/o MS2:NCGC00384645-01_C13H18O7_3-Hydroxy-5-methylphenyl beta-D-glucopyranoside","w/o MS2:2-(2-bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole","w/o MS2:Pesticide4_Fenpyroximate_C24H27N3O4_tert-Butyl 4-[({[(1E)-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylidene]amino}oxy)methyl]benzoate","w/o MS2:MLS001066406-01!Prednisone","w/o MS2:(5R)-trans-1,7-diphenyl-5-hydroxy-6-hepten-3-one","w/o MS2:Atenolol-desisopropyl","w/o MS2:PHOSPHOCHOLINE","w/o MS2:DEOXYCYTIDINE","w/o MS2:NCGC00381408-01!4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one","w/o MS2: Salmeterol; LC-ESI-QTOF; MS2; CE","w/o MS2:Endosulfan sulphate","w/o MS2:NCGC00381016-01_C38H44O16_Cyclohexanecarboxylic acid, 2-[(2-cyclopenten-1-ylcarbonyl)oxy]-1,6-dihydroxy-3-oxo-, [2-[[2,6-bis-O-(2-cyclopenten-1-ylcarbonyl)hexopyranosyl]oxy]-5-hydroxyphenyl]methyl ester","w/o MS2: Neohesperidin Dihydrochalcone","w/o MS2:(1R,19R,20S)-19-ethenyl-18-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-2(10),4(9),5,7,15-pentaen-14-one","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-26-[4-(4-methoxyphenyl)piperazin-1-yl]-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-...","w/o MS2:Daunorubicin","w/o MS2:heptadecanoic acid","w/o MS2:3_4_didhydroxypregna5_17_diene10_2carbolactone","w/o MS2:Mulberroside C","w/o MS2:NCGC00180043-02_C17H16N2O2_1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-4-methyl-3-(phenylmethyl)-","w/o MS2:isorhamnetin-3-O-rutinoside","w/o MS2: methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate","w/o MS2:Hoiamide C","w/o MS2:(20R)-Protopanaxatriol","w/o MS2:Hoiamide B","w/o MS2:d-LIMONENE","w/o MS2:13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0?,?.0??,??]pentadeca-3,8-dien-14-yl (2E)-2-methylbut-2-enoate","w/o MS2: 4-amino-5-(5-hydroxy-2',6-dimethyl-5'-prop-1-en-2-ylspiro[7-oxabicyclo[4.1.0]heptane-3,1'-cyclopentane]-2-yl)oxy-5-oxopentanoic acid","w/o MS2:8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one","Picfeltarraenin X","w/o MS2:L-ASPARAGINE","w/o MS2:Bispyribac","w/o MS2:C26H30O16; PlaSMA ID-3000","w/o MS2: NCGC00381317-01!(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione","w/o MS2:NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid [IIN-based: Match]","w/o MS2: [(2E,6Z,10Z)-7,11-bis(acetyloxymethyl)-3,15-dimethylhexadeca-2,6,10,14-tetraenyl] acetate","w/o MS2:3'-Dephosphocoenzyme A","Nateglinide","w/o MS2:NCGC00347534-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate [IIN-based: Match]","w/o MS2:Myxochromid S1","w/o MS2:aucubin","w/o MS2: Neoandrographolide","w/o MS2:Convolvidine","w/o MS2:NCGC00385457-01_C16H11NO3_1-Hydroxy-2-methoxydibenzo[cd,f]indol-4(5H)-one","w/o MS2:Timosaponin B II","w/o MS2:1-Alaninechlamydocin_130134","w/o MS2:Icajine","w/o MS2:MMV688270","w/o MS2:5-[2-(furan-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","w/o MS2:(10R,13S,16R,17S)-17-acetyl-16-ethyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","w/o MS2:Berberine","w/o MS2:NCGC00385996-01!10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847475]","w/o MS2:Benzamidine","w/o MS2:NCGC00384850-01_C25H33N5O7_2-({3-Phenyl-3-[(N-{2-[(1H-pyrrol-2-ylcarbonyl)amino]butanoyl}seryl)amino]propanoyl}amino)butanoic acid","w/o MS2:4-Feruloylquinic acids","w/o MS2:Sweroside","w/o MS2:ACETYLCHOLINE","w/o MS2: NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid","w/o MS2:NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid","w/o MS2:Epothilon B","w/o MS2:NCGC00347652-02_C35H53N5O7_12-Benzyl-3-isobutyl-6,9-diisopropyl-5,8-dimethyldodecahydro-1H,3H-pyrrolo[1,2-q][1,4,7,10,13,17]oxapentaazacyclononadecine-1,4,7,10,13,17(14H)-hexone","w/o MS2: Polyporenic acid C","w/o MS2:Alterperylenol","w/o MS2:(3beta)-stigmast-5-en-3-ol","w/o MS2:[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] 14-hydroxytetradecanoate","NCGC00384560-01_C16H24O9_beta-D-Glucopyranoside, 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl","LYSINE","w/o MS2:Dereplicator Identification - Monogalactosylmonoacylglycerol;_Hemolysi","w/o MS2:NCGC00386010-01_C24H36O15_Benzyl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-glucopyranoside","Carbamazepine","w/o MS2:Ajmaline","w/o MS2:matairesinol","w/o MS2:NCGC00180025-03!(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","w/o MS2:NCGC00380884-01!(2S,3R,10R,13R,14S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","w/o MS2: Phenylacetaldehyde","w/o MS2:2-propyl-4H-benzo[d][1,3]oxazin-4-one","w/o MS2:1-(9-hydroxy-2-isobutyl-10-(3-(pyridin-3-ylmethoxy)phenyl)pyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(2H,7H,10H)-yl)ethanone","w/o MS2:2,3-Dihydroxy-4-Methoxy-4'-Ethoxybenzophenone","w/o MS2:3-acetylthiazolidine-4-carboxylic acid","w/o MS2:NCGC00169556-02!3-(3,4,5-trimethoxyphenyl)propanoic acid","w/o MS2:Dihydrogedunic Acid, Methyl Ester","w/o MS2:Pesticide3_Forchlorfenuron_C12H10ClN3O_Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-","w/o MS2:3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one","w/o MS2:2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one","w/o MS2:5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one","w/o MS2:NCGC00380806-01!6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid","w/o MS2:Chrysanthemic Acid, Ethyl Ester","w/o MS2: Umbelliferone","w/o MS2:NCGC00381443-01_C30H40O8_Androstan-16-one, 3,7-bis(acetyloxy)-14,15-epoxy-17-(3-furanyl)-1-hydroxy-4,4,8-trimethyl-","w/o MS2:NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000848775]","w/o MS2: Tanshinone IIA","Pyridoxamine","w/o MS2:Polygalaxanthone III","w/o MS2: MMV688466","w/o MS2:NCGC00381405-01!7-hydroxy-3,5-dimethylisochromen-1-one","w/o MS2:2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one","w/o MS2:Liquiritigenin","w/o MS2:NCGC00380339-01_C15H19NO4_2-Pentenamide, 2-methyl-5-[(1R,3S,6R,9S)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl]-4-oxo-, (2E)-","w/o MS2:18-Aminoabieta-8,11,13-Triene Sulfate","w/o MS2: PYROCATECHUIC ACID","w/o MS2:Pesticide4_Triadimefon_C14H16ClN3O2_2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-","w/o MS2:Arenamide A","w/o MS2:Aspartate conjugated chenodeoxycholic acid","w/o MS2:Stercobilin","w/o MS2:Uridine 5_-(trihydrogen diphosphate)","w/o MS2:\"NCGC00160332-01!N-(2-(2,3,4',5'-tetramethoxychalcon-2-yl)-ethyl)-acetamide\"","w/o MS2:Methyprylon","w/o MS2:NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]","w/o MS2: PSEUDO-ANISATIN","w/o MS2:NCGC00385685-01_C23H34O14_(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propen-1-yl beta-D-glucopyranoside","w/o MS2:3`-Aminoacetophenone","w/o MS2:Okaramine B_120148","w/o MS2: MLS000728636-01!","w/o MS2:Thiamine monophosphate","w/o MS2:MK-886","w/o MS2:[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate","w/o MS2:Stylostatin 1","w/o MS2:4-Nitroquinoline-N-oxide","w/o MS2: Vedelianin","w/o MS2:Thiamine pyrophosphate","w/o MS2:stanozolol-3-OH-O-glucuronide","w/o MS2:h_163_prostanozol_3'OH","w/o MS2:DG(15:0/0:0/15:0) (d5)","w/o MS2:Pesticide1_Monocrotophos_C7H14NO5P_Dimethyl (2E)-4-(methylamino)-4-oxo-2-buten-2-yl phosphate","w/o MS2:Risperidone (Risperdal)","w/o MS2:Gigantol","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(octylamino)-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate","w/o MS2:13-Acetyl-9-dihydrobaccatin III","w/o MS2:NCGC00169584-03_C28H38O7_Methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-acetoxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate","w/o MS2:PRI_247.1079_16.2","w/o MS2:(4aR,5S,6S,8R,8aS)-6-hydroxy-3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one","w/o MS2:(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol","w/o MS2: atropine methyl bromide","w/o MS2:NCGC00169194-02_C25H28N4O4_3-[(2-Benzyl-9-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl)methyl]-6-isopropyl-2,5-piperazinedione","w/o MS2:Okadaic acid (+Na)","w/o MS2: veratramine","w/o MS2:Sanguinarine","w/o MS2:Tetrahydrospirilloxanthin","w/o MS2:triacanthine","w/o MS2: Microcolin H","w/o MS2:Quercetin-3,4'-O-di-beta-glucopyranoside","w/o MS2: Microcolin G","w/o MS2: Microcolin F","w/o MS2:Naratriptan HCl","w/o MS2: Microcolin E","w/o MS2:8-Hydroxy Mirtazapine","w/o MS2: Microcolin A","w/o MS2:MMV676204","w/o MS2:Ophiopogonoside A","w/o MS2:Pyraclonil","w/o MS2:NCGC00180154-02![6-[[1a-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate","w/o MS2:(R)-methyl 2-(2-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy)acetamido)-3-(1H-indol-3-yl)propanoate","w/o MS2:Methionine-methyl-13C-methyl-d3","w/o MS2:syringin","w/o MS2:(2-{[2,3-di(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium","w/o MS2:3-Epilupeol","w/o MS2:Pindolol","w/o MS2: [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate","w/o MS2:NCGC00180141-02!2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:\"7,8-epoxy-1,3,11-cembratrien-15-ol\"","w/o MS2:Glycocholic Acid","w/o MS2:Diallyl Sulfide","w/o MS2:NCGC00380242-01_C30H42O9_Card-20(22)-enolide, 1,3-bis(acetyloxy)-14,15-epoxy-7,21-dihydroxy-4,4,8-trimethyl-, (1alpha,3alpha,7alpha,9xi,13alpha,15beta,17alpha)-","w/o MS2:6-Aminopenicillanic acid","w/o MS2:Solanacol","w/o MS2:Scoulerin","w/o MS2:2,2,6,6-Tetramethyl-4 piperidone","w/o MS2: 13-(2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxoethyl)-7,8-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one","w/o MS2:NCGC00380827-01!1-[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid","w/o MS2:Zacopride","(6aR,8aS)-11-(3-acetamido-2-methylpropyl)-6a,8a,9-trimethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,8b,9,10,12,12a,12b-hexadecahydropentaleno[2,1-a]phenanthren-4-yl acetate","w/o MS2:Piplartine","w/o MS2:Enoxolone","w/o MS2:6-(2-oxo-2-(4-(2-(pyridin-4-yl)ethyl)piperazin-1-yl)ethyl)-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione","w/o MS2:NCGC00180662-03_C20H24O5_5-(3-Furyl)-3',6',7'-trimethyldihydro-8'H-spiro[furan-3,2'-[9]oxatricyclo[5.2.2.0~1,6~]undecane]-2,8'-dione","w/o MS2:Pyrrol","w/o MS2: norambreinolide","w/o MS2:Leucine propyl ester","w/o MS2:NCGC00169912-03_C22H25NO5_(3R,4R)-4,5-Dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-3,4-dihydro-2(1H)-quinolinone","w/o MS2:\"(2S, 11R, 12R)-isosarcophytoxide\"","w/o MS2:L-Pyroglutamic acid; CE0; ODHCTXKNWHHXJC-VKHMYHEASA-N","w/o MS2: Pesticide5_Metribuzin_C8H14N4OS_4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one","w/o MS2:7-methanesulfinylheptan-1-amine","w/o MS2:NCGC00347853-02_C22H32O4_12-Acetoxypimara-7,15-dien-18-oic acid","w/o MS2:NCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","w/o MS2:2',3'-Dideoxythymidine","w/o MS2:shogaol","w/o MS2:1-Cinnamoylpyrrolidine","w/o MS2: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[[(3S,4S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]oxane-3,4,5-triol","Prolinamide","w/o MS2:5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","w/o MS2:NCGC00386060-01_C31H44N4O6_(3S,6R,9S,15aS)-6-Benzyl-9-isobutyl-3-[6-(2-oxiranyl)-6-oxohexyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone","w/o MS2:Perospirone","w/o MS2:Spiraeoside","w/o MS2:2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-methylchroman-4-one","w/o MS2:6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole","w/o MS2:\"N,N-DIMETHYLARGININE\"","w/o MS2:NCGC00380163-01!2-methylidene-3-(6-oxalooxyhexyl)butanedioic acid","w/o MS2:2,8-quinolinediol","w/o MS2:Ferrioxamine G1 [M+Fe-2H]","w/o MS2:Formononetin","w/o MS2:1-(9-hydroxy-10-(4-isopropoxy-3-methoxyphenyl)-2-isopropylpyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(2H,7H,10H)-yl)ethanone","Cytidine; CE30; UHDGCWIWMRVCDJ-XVFCMESISA-N","w/o MS2:Adenosine-3-monophosphate","w/o MS2:Doxylamine","w/o MS2:4-Aminophenol","w/o MS2:Schisanwilsonin I","w/o MS2:Methyl 3,4,5-trimethoxycinnamate","w/o MS2:Eicosanoids_9-HOTrE_C18H30O3","w/o MS2:3',4',5',6'-tetradehydrolongicaudatine Y","w/o MS2:(3R,5S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-aminium chloride","w/o MS2:Salinomycin","w/o MS2:(15S,16Z,17S)-16-ethylidene-4-hydroxy-15-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10,14,20-tetraoxatetracyclo[21.2.2.1?,?.0??,??]octacosa-1(25),3(28),4,6,12,23,26-heptaene-11,19-dione","w/o MS2: Heptadecanoic acid","w/o MS2:(2S,3R,4R,5R,6S)-2-{[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1'S,2R,4'S,7'S,8'R,9'S,13'R,14'R,16'S)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0?,?.0?,?.0??,??]icosan]-18'-en-14'-oloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol","w/o MS2:(2-AMINOETHYL)PHOSPHONATE","ADENOSINE 2',3'-CYCLIC PHOSPHATE","4-Methyl-5-thiazoleethanol","w/o MS2:Kalkipyrone B","w/o MS2:Ferri fusarinin B [M+Fe-2H]","w/o MS2:L-Arginine","w/o MS2:Azobenzol","w/o MS2:(S)-N-((R)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-(2-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetyl)pyrrolidine-2-carboxamide","w/o MS2:7-Oxocholesterol","w/o MS2:Cyanolide A","w/o MS2:Mitoxantrone Hydrochloride","w/o MS2:Kuwanon E","w/o MS2:Rhodinyl Acetate","w/o MS2:fraxin","w/o MS2: Urushiol II","w/o MS2:NCGC00180529-03!(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [IIN-based on: CCMSLIB00000846051]","w/o MS2:3,5,7,15-tetraacetoxy-2-hydroxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene (2)","w/o MS2:4-ureidobutanoic acid","w/o MS2: D617; LC-ESI-ITFT; MS2; CE","w/o MS2:(2R)-2-(2-((11aS)-5-(3-methoxyphenyl)-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzamido)-4-methylpentanoic acid","w/o MS2:1,4-Cyclohexanedicarboxylic acid","w/o MS2:Nw-Acetylhistamine","w/o MS2:Mitrinermine","w/o MS2:Salidroside","w/o MS2:Meprobamate","w/o MS2:Balsalazide","w/o MS2:Lipothiazole D","w/o MS2:Lipothiazole C","w/o MS2:Tryptophan","w/o MS2:Lipothiazole A","w/o MS2:2-nonylquinoline-3,4-diol:Series 3 HAQ C9","w/o MS2: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine; MALDI-TOFTOF; MS2; CE","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aS,6aR,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate","w/o MS2:Indoline","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid","w/o MS2:Ergotamine","w/o MS2:ACARBOSE","w/o MS2:Guanosine-5'-Triphosphate Disodium Salt","w/o MS2:h_266_oxandrolone_m3","w/o MS2:NCGC00246789-03![3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate [IIN-based on: CCMSLIB00000845926]","w/o MS2:3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane","w/o MS2: MLS002207232-01!HEXETIDINE141-94-6","w/o MS2:Tetrandrine","w/o MS2:Deacetoxy(7)-7-Oxokhivorinic Acid","w/o MS2:(8Z,8'Z)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis(((1-phenylethyl)amino)methylene)-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione","w/o MS2:Lactosyl(?) C12 Ceramide","w/o MS2:NCGC00380970-01!3-hydroxy-2-[[3-(3-hydroxy-6-methylheptanoyl)oxy-8-methylnonanoyl]amino]propanoic acid","w/o MS2:2',4-Dihydroxy-3,4',6'-Trimethoxychalcone","w/o MS2:sulochrin","w/o MS2:8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol","w/o MS2:Quinoclamine","w/o MS2:4-(2-hydroxy-7-methylquinolin-3-yl)-6,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione","w/o MS2:(4aR,6aS,6bR,10S,12aR)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2: BENZALDEHYDE","w/o MS2: ellipticine","w/o MS2:1-(2-(1H-indol-3-yl)ethyl)urea","w/o MS2:Araloside A","w/o MS2:Gallinamide A","w/o MS2:(2R,3R,4S,5R,7S,8R,9S,13R,15R)-3,5,7,9,14,15-Hexaacetoxy-8-hydroxy-14-oxojatropha-6(17),11E-diene / jatrophane ester isolated from Euphorbia amygdaloides ssp semiperfoliata","w/o MS2:NCGC00380632-01_C10H16O5_(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one","w/o MS2:5-[1,2,4a-trimethyl-5-(3-methylbutanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","w/o MS2:Quercetin-3-Arabinoside","w/o MS2: Bufotalin","w/o MS2:NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845048]","w/o MS2:Antanapeptin B","w/o MS2:korseveriline","w/o MS2:Antanapeptin C","w/o MS2:Fludrocortisone acetate","w/o MS2:1-(3-carboxypropyl)-3,7-dimethylxanthine","w/o MS2: Metolachlor morpholinone; LC-ESI-ITFT; MS2; CE","w/o MS2:4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:(3beta)-lup-20(29)-ene-3,28-diol","w/o MS2:NCGC00169462-02!17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based on: CCMSLIB00000847134]","w/o MS2:Carnosine","w/o MS2:NCGC00385696-01_C19H34O9_2,4-Dihydroxy-4-[(1E)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethylcyclohexyl beta-D-glucopyranoside","w/o MS2:C11H21NO7S; PlaSMA ID-1653","w/o MS2:Dexamethasone","w/o MS2:NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848159]","w/o MS2:(2R,4S)-6-(((2R,4S)-4-hydroxy-6-(((2R,4S,6R)-4-hydroxy-6-(((10S,13R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)o...","w/o MS2: Carveol","w/o MS2: 4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","w/o MS2: Salidroside","w/o MS2:N-ACETYL-L-LEUCINE","w/o MS2:Thaliblastine","w/o MS2:Naphthalen-2-yl 2-aminobenzoate","w/o MS2:NCGC00380549-01_C36H43NO17_Evonine","w/o MS2:[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","w/o MS2:Thonningianin A","w/o MS2: Isotalatizidine","w/o MS2: 2-(2-hydroxybut-3-en-2-yl)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-4,5-diol","w/o MS2:Glutamine chenodeoxycholic acid","w/o MS2:h_55_metenolone-m","w/o MS2:Peridinin","w/o MS2:Fumonisin B4","w/o MS2:KYNURENINE","w/o MS2:Fumonisin B1","w/o MS2:11-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-chloro-1,3,5-triazin-2-yl)-7,11- diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one","w/o MS2:Fumonisin B2","w/o MS2:16-Glucuronide-estriol","w/o MS2:Urdamycinone B","w/o MS2:Gal(alpha1-6)Glc(alpha1-2beta)Fruf","w/o MS2: 9-methanesulfinylnonanoic acid; PlaSMA ID-672","w/o MS2:Fipronil-TP RPA 200761","w/o MS2: 4-((9S)-3,5,14-trihydroxy-10-((E)-((1-hydroxybutan-2-yl)imino)methyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:Alisol A,24-acetate","w/o MS2: [(1R,5R,9S,13S)-5,9,13-trimethyltetracyclo[11.2.1.0?,??.0?,?]hexadec-14-en-5-yl]methanol","w/o MS2:methyl (Z)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoate","w/o MS2:ophiocordin","w/o MS2:NCGC00385827-01!7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848158]","w/o MS2:(Z)-2-(2-methoxybenzylidene)-9-(pyridin-3-yl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:Isoleucylvaline","w/o MS2: 4-((9S,10R,17S)-10-((E)-(decylimino)methyl)-3-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,14-dihydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:3,7-O-diacetyl-5,14-O-dibenzoylmyrsinol","w/o MS2:Methionine ethyl ester","w/o MS2:NCGC00385331-01_C31H44O12_(2E)-3,7-Dimethyl-2,6-octadien-1-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside","w/o MS2:4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid","w/o MS2:(3S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetate","w/o MS2:Heliotrine N-oxide","w/o MS2:(R)-1-(4-benzylpiperazin-1-yl)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentan-1-one","w/o MS2:N2-Isobutyryl-2'-deoxyguanosine","w/o MS2:4beta-deoxyphorbol 12-acetate-13-isobutyrate (4-dPE B) / isolated from Euphorbia amygdaloides ssp semiperfoliata","w/o MS2: Denudatine","w/o MS2:(8R,9S,11S,11aS,12aR,13S)-7-(2-(((3S,5S,14S,17R)-5,14-dihydroxy-10-(methoxycarbonyl)-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-oxoethyl)-9-ethyl-8,13-dihydroxy-5-methyl-5,5a,6,7,8,9,10,11,11a,12-decahydro-6,10:11,12a-dimethanoindolo[3,2-b]quinolizin-7-ium chloride","w/o MS2:NCGC00180448-02!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-(2-methylpropyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioate","w/o MS2:12-(acetyloxy)-6-(furan-3-yl)-14-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.0?,?.0?,?.0??,??]octadecan-18-yl acetate","w/o MS2:2-(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-enyl 3-methylbutanoate","w/o MS2:cis,cis-Muconic acid","oleanolic acid","w/o MS2:(-)-Gallocatechin-3-O-gallate","w/o MS2:Rutilantinone","w/o MS2:NCGC00385528-01_C29H40O10_7aH,13aH-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-1,3a,11,11a-tetrahydroxy-9,15a-dimethyl-, (1S,3aS,3bR,6aR,9R,11R,11aS,12aR,13aR,15aS)-","w/o MS2:Badrakemin acetate","w/o MS2:Astilbin","w/o MS2: 5-Fluro-2-pyrimidone","w/o MS2:NCGC00385963-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol","w/o MS2:NCGC00169448-03!5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione","w/o MS2:Teraspiridole A_130090","w/o MS2:[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate","w/o MS2:(E)-10a-(2-(allyloxy)styryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2-ol","w/o MS2:Vidarabine phosphate","w/o MS2:khellin","w/o MS2: NCGC00385752-01!methyl (1R,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate","w/o MS2:NCGC00385892-01!9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one","w/o MS2:NCGC00347748-02!(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol","w/o MS2:5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","w/o MS2: lithocholic acid","Mepirizole","w/o MS2:NCGC00347374-02![(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate","w/o MS2:Cytidine diphosphate","w/o MS2:Sphingosine-1-Phosphate (C17 base)","w/o MS2:Flavone base + 4O, O-HexA-HexA","w/o MS2: Cerivastatin","Dipropyl phthalate","w/o MS2:Dihydrocapsaicin","w/o MS2:Doxapram","w/o MS2: (2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-furo[2,3-e]isoindole]-6'-one","w/o MS2:\"R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one\"","w/o MS2:3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid","w/o MS2:[7-(hydroxymethyl)-4-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:\"(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol\"","w/o MS2:3,4-Dimethoxycinnamic acid","w/o MS2:methyl (4aR)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate","w/o MS2:SPI_256.2273_14.6","w/o MS2:6-HYDROXYANGOLENSIC ACID METHYL ESTER","w/o MS2:NCGC00347534-02![2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate [IIN-based on: CCMSLIB00000848581]","w/o MS2:3-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one","w/o MS2:Ginsenoside F4","(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-(dihexylamino)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate","w/o MS2:NCGC00384639-01_C14H16N2O3_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[(4-hydroxyphenyl)methyl]-","w/o MS2:Chaetoglobosin C","w/o MS2: Drofenine; LC-ESI-QTOF; MS2; CE","w/o MS2:Pyridoxamine","w/o MS2:Silodosin (Rapaflo)","2,3-dihydroxypropyl palmitate","w/o MS2:Pelletierine Hydrochloride","w/o MS2:Lauryldiethanolamine","w/o MS2:5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isoquinolinyl acetate","w/o MS2:2,6-Dimethylpyridine","w/o MS2:Adenosine Diphosphate","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,...","w/o MS2:indirubin","w/o MS2:Catalpol","w/o MS2:Acarbose","w/o MS2:NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid","w/o MS2:NCGC00180806-02!9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848322]","w/o MS2:Sarafloxacin","w/o MS2:Siomycin_A/Sporangiomycin","w/o MS2:Pazopanib","w/o MS2:2-heptylquinolin-4(1H)-one","w/o MS2:Scopularide B / Arenamide B","w/o MS2:[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoate","w/o MS2:(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol","Propyl gallate","w/o MS2:Pesticide6_Metconazole_C17H22ClN3O_5-(4-Chlorophenylmethyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol","w/o MS2:Ticagrelor","w/o MS2:L-Prolyl-L-isoleucine","w/o MS2:NCGC00381215-01_C36H48O19_beta-D-Glucopyranoside, 2-(3,4-dimethoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:\"NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE\"","w/o MS2:Malonyltryptophan","w/o MS2:(3S,5S,8R,10R,13R,14S,17R)-14-hydroxy-3-[(2S,3R,4R,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde","w/o MS2:3-hydroxy-2-[[1-[2-[(4-hydroxybenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]benzoic acid","w/o MS2:NCGC00381357-01!methyl 3,4,5-trihydroxycyclohexene-1-carboxylate","w/o MS2:(1R,3R,4S,6S,8R,9R,10S,11S)-9-(acetyloxy)-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.0?,?]tetradecan-10-yl 2-methylprop-2-enoate","w/o MS2:3-(Octyloxy)propan-1-amine","w/o MS2:4-Hydroxybenzoylcholine","w/o MS2:NCGC00385352-01!7-methoxy-9,10-dihydrophenanthrene-2,5-diol","w/o MS2:Herqueichrysin","w/o MS2:NCGC00381044-01!3,6-diphenylcyclohexane-1,2-diol [IIN-based on: CCMSLIB00000845865]","w/o MS2:Versicotide E","w/o MS2:Versicotide A","w/o MS2:adrenosterone","w/o MS2:[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate","w/o MS2:methyl 1-methyl-9H-beta-carbolin-7-yl ether","w/o MS2:MGDG (20:5/18:4)_(2S)-1-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-O-(6Z,9Z,12Z,15Z-octadecatetranoyl)-3-beta-D-galactopyranosyl-sn-glycerol","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-13-(acetyloxy)-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-methylphenyl)amino]-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-...","MMV688514","w/o MS2:NCGC00380594-01!(2S)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-acetamido-6-[(3S)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","w/o MS2:Alanylleucine (isomer of 675)","w/o MS2: (E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide","w/o MS2:L-HISTIDINE","w/o MS2:4-Aminobenzoic acid","w/o MS2:5-Methyltetrahydrofolic acid disodium salt","w/o MS2: 2,3-dihydromicrocolin A","w/o MS2: 2,3-dihydromicrocolin C","w/o MS2: 2,3-dihydromicrocolin D","w/o MS2:NCGC00380575-01_C49H78O18_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-pentopyranosyl-(1->3)-O--6-deoxyhexopyranosyl-(1->4)-6-O-acetylhexopyranosyl]oxy]-, (3beta,5xi,9xi)-","w/o MS2:Cyanidin-3-glucoside chloride","w/o MS2:\"sulfo((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)alanine\"","w/o MS2:Cilazapril monohydrate (Inhibace)","w/o MS2:METHYLMALONATE","w/o MS2:Trimipramine","w/o MS2:DL-beta-Hydroxybutyric acid","w/o MS2:3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","w/o MS2: Royal jelly acid","w/o MS2:Phenolsulfonphthalein","w/o MS2:NCGC00347686-02!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide [IIN-based: Match]","w/o MS2:Adenosine-3',5'-cyclicmonophosphate","w/o MS2:\"methyl (2R,4R)-4-((3R,5R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxypentanoate\"","w/o MS2:Uric acid","w/o MS2: Procaine","w/o MS2:NCGC00385253-01_C30H44O7_(2S,4R,9beta,16alpha,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione","ADENINE","Cyclizine","w/o MS2:NCGC00385747-01!","w/o MS2:NCGC00380981-01_C28H40O5_","w/o MS2:(1S,2R,4S,9R,10R,14S,15S,17S)-9-(furan-3-yl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0?,?.0?,??.0?,??]octadecan-17-yl 2-methylpropanoate","w/o MS2:PRP_M358a","w/o MS2: Uric acid; CE10; LEHOTFFKMJEONL-UHFFFAOYSA-N","Phenylalanine","w/o MS2:NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000845729]","w/o MS2:Pleiomutine","w/o MS2:N1-Acetylspermine","w/o MS2:Isorhynchophylline","w/o MS2:Labetalol","w/o MS2:Amaranthipeptide A","Dibutylphthalate","w/o MS2:Amaranthipeptide B","w/o MS2:hyocholic acid","w/o MS2:trans-3-Hydroxycotinine","w/o MS2:Okaramine H_120150","w/o MS2:Nifekalant","w/o MS2: docosanoic acid","w/o MS2:protoporphyrin IX","w/o MS2:Piperlotine A","w/o MS2:R-4-benzyl-3-isobutyryloxazolidin-2-one","w/o MS2:NCGC00381382-01_C14H14N2O4_Cyclohepta[b]pyrrole-3-propanoic acid, alpha-(acetylamino)-1,4-dihydro-4-oxo-","w/o MS2:Dehydrophytosphingosine (not validated) - 2H","w/o MS2:(-)-Nuciferine","w/o MS2:BETA-Febrifugine","w/o MS2:Amoxicilin - Dark Web Drugs","w/o MS2:NCGC00347566-02_C34H59N3O9_1,7,13-Trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone, 4,10,16-trimethyl-3,6,9,12,18-pentakis(1-methylethyl)-15-[(1S)-1-methylpropyl]-, (3S,6R,9S,12R,15S,18R)-","w/o MS2: Phosphatidylethanolamine (20:3/16:0) Abbr: hLPPE","w/o MS2:2-Hydroxyglutaric acid","w/o MS2:3-Hydroxykynurenine","w/o MS2:N,N-Diethyl-3,4-dimethoxybenzamide","w/o MS2:NCGC00385399-01!3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid","w/o MS2:Phlorhizin","w/o MS2:(9Z,12Z)-N-Benzyloctadeca-9,12-dienamide","w/o MS2:SPI_270.2429_14.9","w/o MS2:3-(2-((7H-purin-6-yl)amino)ethyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxamide","w/o MS2:[(2R,3S,4S,5R,6R)-6-[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate","w/o MS2:C10H9NO3; PlaSMA ID-572","w/o MS2: Cimifugin","w/o MS2:\"5_,15_-O-diacetoxy-7_-O-benzoyloxy-14_-nicotynoyloxy-3_-O-propanoyloxymyrsinol\"","w/o MS2:(+)-Catechin hydrate","w/o MS2:Microsporin B","w/o MS2:Pesticide5_Prothioconazole_C14H15Cl2N3OS_Redigo","w/o MS2:convolicine","w/o MS2:Pesticide4_Furalaxyl_C17H19NO4_N-(2,6-Dimethylphenyl)-N-(2-furanylcarbonyl)-DL-alanine methyl ester","w/o MS2:MMV020512","w/o MS2:Microsporin A","w/o MS2:5-[(Z)-12-(3,5-dihydroxyphenyl)dodec-8-enyl]benzene-1,3-diol","Di(2-ethylhexyl)phthalate (DEHP)","w/o MS2:CYCLOSERINE","w/o MS2:NCGC00385089-01!(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","w/o MS2:MMV020517","w/o MS2:NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based on: CCMSLIB00000847299]","w/o MS2:Vardenafil","w/o MS2:NCGC00380900-01_C20H29NO12_2-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-2-phenylacetamide","w/o MS2:(9bR,E)-6-acetyl-7,9-dihydroxy-2-(1-((1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-3-(methylthio)propyl)amino)ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione","w/o MS2: NCGC00385352-01!7-methoxy-9,10-dihydrophenanthrene-2,5-diol","w/o MS2: 1-indanol","w/o MS2:12'-Apoastaxanthinal","w/o MS2:Dyclonine hydrochloride","w/o MS2:Byakangelicol","w/o MS2:NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid","w/o MS2:(3aS,3a1S,10bR)-3a-ethyl-5-(methoxycarbonyl)-13-methyl-1,2,3,3a,3a1,4,6,11,12,13-decahydroindolizino[8,1-cd]carbazol-13-ium chloride","w/o MS2:NCGC00347573-02_C18H25NO3_2-Heptenamide, 7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-","w/o MS2:FEN_246.1101_16.1","w/o MS2:2-(hydroxymethyl)-6-[5-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol","Ethyl caffeate","w/o MS2:Linoleoyl Ethanolamide","w/o MS2:MMV676186","w/o MS2:Epimedin A","w/o MS2:Staurosporine","w/o MS2:licoricidin","w/o MS2:Epimedin C","w/o MS2:DEPO-MEDROL","w/o MS2:Grayanotoxin I","w/o MS2:NCGC00169106-02![(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","w/o MS2:MMV676182","w/o MS2:NCGC00385992-01_C21H29NO_1-Methyl-2-[(6Z)-6-undecen-1-yl]-4(1H)-quinolinone","w/o MS2:NCGC00380935-01_C23H23N5O4_(3Z)-6-Hydroxy-3-(1H-imidazol-5-ylmethylene)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione","w/o MS2:Hesperedin","w/o MS2:6-oxopristimerol derivative","w/o MS2: 5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid","w/o MS2: Buprenorphine; LC-ESI-QTOF; MS2; CE","w/o MS2:Ptaquiloside","w/o MS2:Oxyresveratrol 3'-O-beta-D-glucopyranoside","w/o MS2:BiakamideA,B","w/o MS2:5,7-dimethoxy-2-phenyl-4H-chromen-4-one","w/o MS2:(7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-2,13,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(pyrrolidin-1-yl)-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaene-6,23,27,29-tetrone","w/o MS2:Ginsenoside Ro","w/o MS2:MLS001146935-01!ANISOTROPINE METHYLBROMIDE","w/o MS2: MMV688313","w/o MS2:7-O-methyl_ galangin","w/o MS2:Ginsenoside Re","w/o MS2:Jionoside B1","w/o MS2:2-Deoxyribose","w/o MS2:gomisin C","NCGC00332267-02!N-(2-phenylethyl)acetamide","w/o MS2:NCGC00380715-01_C27H38O8_9-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-methylbutanoate","w/o MS2:Shearinine A_120147","w/o MS2:(2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(7-methoxyquinolin-3-yl)-3-methylpentanamide","w/o MS2:Toradol","w/o MS2:Uncarine c","w/o MS2:Stigmast-4-ene-3,6-dione","w/o MS2:L-Asparagine","w/o MS2:Bixin","w/o MS2:\"2-((4R)-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-methylpentanamido)ethane-1-sulfonic acid\"","w/o MS2:Norharman","w/o MS2:p-Toluenesulfonamide","Gly-Val","w/o MS2:10S,13R)-5,14-dihydroxy-3-(((2R,4S,5S,6R)-4-hydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde10S,13R)-5,14-dihydroxy-3-(((2R,4S,5S,6R)-4-hydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","w/o MS2:MMV676161","w/o MS2:MMV676162","w/o MS2:D-Tryptophan","w/o MS2:(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol","w/o MS2:Cimifugin","w/o MS2:NCGC00169002-05_C14H16O3_(6S)-4-Methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one","w/o MS2:n-[2-(4-sec-butyl-phenoxy)-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl]-acetamide","w/o MS2:Roxithromycin (Roxl-150)","w/o MS2:Levosulpiride","Phytosphingosine-1-P","w/o MS2:NCGC00381110-01!13-hydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12,14-dimethyl-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone [IIN-based on: CCMSLIB00000846388]","w/o MS2:4,4'-Diaponeurosporene","w/o MS2:Olaquindox","w/o MS2:5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","w/o MS2: BRUCINE","w/o MS2:NCGC00180497-02!","w/o MS2:(+)-2'-Deoxyuridine","w/o MS2:(3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (4-nitrophenyl) carbonate","w/o MS2:NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000845083]","w/o MS2:MMV688124","w/o MS2:galanthamine","w/o MS2: NCGC00384699-01!(2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,34-tetraene-1,15,19,23,27,31-hexol","w/o MS2:NCGC00381262-01_C29H36O5_9,11a-Methano-11aH-cyclohepta[a]naphthalen-8(9H)-one, 6-(acetyloxy)-5-(benzoyloxy)-2,3,4,4a,5,6,6a,7,10,11-decahydro-1,4,4,9-tetramethyl-","w/o MS2:NCGC00180673-03!1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000846839]","w/o MS2:(2-acetyloxy-3,6-diphenylcyclohexyl) acetate","w/o MS2:Reserpiline","w/o MS2:Jionoside A1","w/o MS2:\"12b-O-[octa-2Z,4E-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol\"","w/o MS2:(2R)-6-methylpiperidine-2-carboxylic acid","w/o MS2:gomisin A","w/o MS2:DL-Palmitoylcarnitine","w/o MS2:2-[[6-[1-[3-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00169209-03![17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-3-hydroxy-4,4,9,13,14-pentamethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate [IIN-based: Match]","w/o MS2: monoolein","w/o MS2: Sibutramine","w/o MS2:Tetrahydropalmatine","w/o MS2:NCGC00385715-01!","w/o MS2: Linoleoyl Ethanolamide","w/o MS2:Methionine conjugated cholic acid","N,N-Dimethyldecylamine oxide","w/o MS2:3-hydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid","w/o MS2:NCGC00160229-01!VERALODINE","w/o MS2:Vicriviroc Malate","w/o MS2:Scalarin","w/o MS2:Hyloin_L1","w/o MS2:C13H23NO5; PlaSMA ID-1255","w/o MS2:_120145","w/o MS2:DINCH","w/o MS2:C13H23NO5; PlaSMA ID-1256","w/o MS2:NCGC00385302-01_C42H68O14_(3beta,5xi,9xi)-3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid","w/o MS2:C.I. Basic Red 9","w/o MS2:(1S,3R,4S,5R)-4-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid","w/o MS2:Koranimine","w/o MS2: 8-hydroxy-6,7-dimethoxy-2H-chromen-2-one","w/o MS2:NCGC00380865-01_C28H42O10_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a-(acetyloxy)-9-[(hexopyranosyloxy)methyl]-1,1a,4a,5,6,7,7a,10,11,11a-decahydro-7-hydroxy-1,1,3,6-tetramethyl-, (8E)-","w/o MS2:Prulaurasin","w/o MS2:NCGC00169715-02_C20H30O2_Abieta-8(14),9(11),12-triene-7,18-diol","w/o MS2:Alpha Cyperone","w/o MS2:NCGC00347406-02!5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid [IIN-based on: CCMSLIB00000847900]","w/o MS2:SEROTONIN","w/o MS2:Betamethasone 21-Acetate","w/o MS2:C12-homoserine lactone","w/o MS2: Cyclopamine","w/o MS2:Tris(1,3-dichlorisopropyl)phosphate (TDCPP)","w/o MS2:NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid","w/o MS2: Palonosetron HCl","w/o MS2:Garcinolic Acid","w/o MS2:3-Deoxo-3Beta-Acetoxydeoxydihydrogedunin","w/o MS2:NCGC00169796-02_C20H30O10_2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","w/o MS2:4'-ethenyl-2'-hydroxy-1,4',4a-trimethyl-5-oxospiro[2,3,4,7,8,8a-hexahydronaphthalene-6,1'-cyclopentane]-1-carboxylic acid","w/o MS2:Benzoylmesaconine","w/o MS2:taurohyodeoxycholic acid","w/o MS2:Apicidin C_120251","Epigallocatechin","w/o MS2: MLS002222329-01!26305-03-3","w/o MS2:methyl 4,10-diacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate","Esculentoside A","NCGC00180835-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","w/o MS2:6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-9-(2-methylpropyl)-9H-xanthene-1,3-dione","w/o MS2:OUABAIN","w/o MS2:Quercetin-3-Rhamnoside","w/o MS2:NCGC00180099-02!methyl 2-[(3-formamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoate","w/o MS2:Fucoxanthin","w/o MS2:3-Hydroxyproline","PHOSPHORYLCHOLINE","w/o MS2:2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid","w/o MS2:_120168","w/o MS2:3-O-Acetylpinobanksin","w/o MS2:NCGC00381001-01_C32H41NO11_","w/o MS2:\"NCGC00160334-01!3-(4-Methoxy-benzylidene)-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione\"","w/o MS2:7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one","w/o MS2:MLS001304044-01! (Clindamycin)","w/o MS2:Auraptene","w/o MS2:(8Z,8'Z)-8,8'-bis(((3,5-di-tert-butyl-4-hydroxyphenyl)amino)methylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione","w/o MS2: 4-methylumbelliferyl acetate","w/o MS2:debromohymenialdisine","NCGC00385919-01_C20H34O_2-Penten-1-ol, 5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-, (2E)-","w/o MS2:THIAMINE PYROPHOSPHATE","w/o MS2:Fimbricalyx C","w/o MS2:Neocoprogen I","w/o MS2:NCGC00385438-01!1-methoxy-3-methyl-9H-carbazole","w/o MS2:Metosulam","w/o MS2:5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentanoic acid","w/o MS2:(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol","w/o MS2:(2S,3S,9R,12R,13R,14S,15R,16R,17S)-3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0?,?.0??,??]heptadec-5-ene-4,11-dione","w/o MS2:Dihydropiplartine","w/o MS2:(R,E)-6-acetyl-7,9-dihydroxy-2-(1-((3-(3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl)propyl)amino)ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione","w/o MS2:Metribuzin","w/o MS2:Myristic acid","w/o MS2:3-[5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,6,7,8-tetrahydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one","w/o MS2:(2S,3S,4S,8R,9S,13R,14R,15S,16R)-3,4,8,14,15-pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.0?,?.0??,??]hexadecan-11-one","w/o MS2: Ferulic acid","w/o MS2:1-Octacosanol","w/o MS2: NCGC00385411-01_C24H28O10_Spiro[furan-3(2H),1'(4'H)-naphthalene]-4'a,5'(5'H)-dicarboxylic acid, 6'-(acetyloxy)-5-(3-furanyl)-4,5,6',7',8',8'a-hexahydro-5'-hydroxy-2'-methyl-2-oxo-, dimethyl ester","w/o MS2: MMV688270","6,7-dimethoxy-1-phenyl-8H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-8-one","w/o MS2:Galgravin","w/o MS2:[Asn0-Gln1]-moroidin","w/o MS2:Actephilol C","w/o MS2:lappaconitine","w/o MS2:(Z)-2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methylene)-9-(4-hydroxyphenyl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:2,2,6b,9,9,12a-hexamethyl-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid","w/o MS2:D-Pantothenic acid","w/o MS2:3,6,9,12-Tetraoxatetracosan-1-ol","w/o MS2:\"(R)-4-((5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","w/o MS2: NCGC00380262-01!2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene","w/o MS2:NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","Reduced Glutathione + H+","w/o MS2:1-Isopropyl-5-methyl-1H-indole-2,3-dione","w/o MS2:NCGC00169102-02!2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000847528]","w/o MS2:Gitoxigenin Diacetate","w/o MS2: Rimcazole","w/o MS2:NCGC00347700-02!2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]","w/o MS2:N-(2-(1H-benzo[d]imidazol-1-yl)ethyl)-2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-4-(methylthio)butanamide","w/o MS2:7-Hydroxy-4-methylcoumarin","w/o MS2:Caffeine","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(4-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)phenyl)acetamide","w/o MS2:phenylglucoside","w/o MS2:Geranic acid","w/o MS2: NCGC00385079-01_C19H34O7_4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl beta-D-glucopyranoside","w/o MS2: Uvarigrin","Phenol","w/o MS2:10-Shogaol","w/o MS2:NCGC00381386-01!2-(7-hydroxy-6-methyloctyl)-2H-furan-5-one","w/o MS2: N1-Acetylspermine","w/o MS2: Methyl Fexofenadine","w/o MS2:4-Hydroxyphenylacetic acid","w/o MS2:\"2-((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid\"","w/o MS2:(2E,6E,12E)-18-(2,6-dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid","w/o MS2:(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol","w/o MS2:NCGC00380878-01_C18H28O9_Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)-","w/o MS2: Ursonic acid","w/o MS2: Proline; LC-ESI-ITFT; MS2; CE 85.0 eV; [M+H]+","w/o MS2: Irbesartan; LC-ESI-ITFT; MS2; CE","w/o MS2:NCGC00160208-01!6-Demethoxy-isomaculosidine","w/o MS2:3,4-Dichloroaniline","w/o MS2:Alosetron","w/o MS2:7-prenyl-theophylline","w/o MS2:MMV031011","w/o MS2:NCGC00381000-01_C30H46O16_","w/o MS2:NCGC00381288-01!2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","w/o MS2:[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","w/o MS2:NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based on: CCMSLIB00000846008]","w/o MS2:3Beta-Hydroxy-23,24-Bisnorchol-5-Enic Acid","Altenuene","w/o MS2:O-methylarmepavine","w/o MS2:RICININE","w/o MS2:NCGC00380718-01_C29H40O8_2-Butenoic acid, 2-methyl-, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxopropoxy)-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-","w/o MS2:NCGC00380811-01!3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid","w/o MS2:bis[[3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 3,10-dihydroxy-4,9-dioxo-1,2,7,8-tetrahydrotricyclo[6.2.2.02,7]dodeca-3,9-diene-3,10-dicarboxylate","w/o MS2:(4S,4aR,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one","w/o MS2:NCGC00384710-01_C45H70O16_beta-D-Galactopyranoside, (1beta,3beta,8xi,9xi,14xi)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]spirosta-5,25(27)-dien-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-","w/o MS2: (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid","w/o MS2: Ergosterol Acetate","w/o MS2:methyl (3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxycyclohexene-1-carboxylate","w/o MS2: 2,3-dihydroxypropyl palmitate","w/o MS2:6-Methylflavone","w/o MS2:Bulleyaconitine A","w/o MS2:5-AMINOPENTANOATE","w/o MS2:5,7-dihydroxycoumarin","w/o MS2:Chymostatin A/C","Ganoderic acid LM2","w/o MS2: Marineosin A","w/o MS2:Vincamine","w/o MS2: Coprostanone; LC-APPI-QQ; MS2; CE","w/o MS2: trimethyl(2-{[3-[octadeca-9,12-dienoyloxy]-2-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium","w/o MS2:gamma-sitosterol","w/o MS2: (4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid","w/o MS2:picroside II","w/o MS2:Hydroxyprogesterone","w/o MS2:(2R,2aR,2'R,4R,5R,5'R,6aR,8aS,8bR,9S,11aS,12bS)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-2,2a,4,5-tetraol","w/o MS2:Cycloaspeptide H_130057","w/o MS2:MLS001332590-01!Melengestrol acetate2919-66-6","w/o MS2:2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00381248-01!4-oxododecanedioic acid","w/o MS2:Indole-3-acetic acid","w/o MS2:NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848670]","w/o MS2:Mycosporine serinol","w/o MS2:(12bS)-7-(4-ethylphenyl)-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7-tetrahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4(12H,12bH)-dione","w/o MS2: Deoxycholic acid","w/o MS2:2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","w/o MS2:NCGC00380127-01!5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","w/o MS2:conessine","w/o MS2:Di-dihydrocaffeoyl spermidine","w/o MS2:Senkirkine","w/o MS2:Eleutheroside E","w/o MS2:gamma-Glutamylthreonine","w/o MS2:Himbacine","w/o MS2:NCGC00385496-01!4,6-dimethoxyfuro[2,3-b]quinoline","w/o MS2:(4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:h_211_stanozolol_3'oh_o_glucuronide","w/o MS2:h_14_19_norandrosterone","w/o MS2:(4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one","w/o MS2:Dehydroabietic acid","[2-[(E)-3,4-dihydroxypent-1-enyl]-6-oxooxan-3-yl] (E)-2-methylbut-2-enoate","w/o MS2:L-gamma-Glutamyl-S-4-(2-hydroxybutyl)-L-cysteinyl-glycine","w/o MS2:5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate","w/o MS2: Desferrioxamine B","w/o MS2:(1R,3R,4S,6S,8R,9R,10S,11S)-8-hydroxy-3,8-dimethyl-12-methylidene-10-[(2-methylprop-2-enoyl)oxy]-7,13-dioxo-5,14-dioxatricyclo[9.3.0.0?,?]tetradecan-9-yl 2-methylprop-2-enoate","w/o MS2:Gangaleoidin","w/o MS2:MMV146306","w/o MS2:Lunarine","w/o MS2:(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid","w/o MS2:Benzylpenicilloic acid","w/o MS2:Isokurarinone","w/o MS2:Tsugaric acid A","w/o MS2:Delphinidin-3-rutinoside","w/o MS2:Soy bean phospholipid","w/o MS2:Amprenavir (Agenerase)","w/o MS2:(3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl) acetate","w/o MS2: hetisine","w/o MS2:7-O-beta-glucopyranosyl-4'-hydroxy-5-methoxyisoflavone","w/o MS2:Cratoxyarborenone E","w/o MS2:Ambrettolide","w/o MS2: NCGC00385362-01_C27H38O4_(2E,6E,10E)-13-[(2R)-6-Hydroxy-2,8-dimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyl-2,6,10-tridecatrienoic acid","w/o MS2:Rivulariapeptolide 954","w/o MS2:NCGC00385101-01_C26H40O10_1,6-Bis-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranose","w/o MS2:MLS002154033-01!Roxithromycin80214-83-1","Propionylcarnitine","w/o MS2: NCGC00381336-01_C33H50O21_2,6-Anhydro-5-O-[4-({6-O-[4-(beta-D-glucopyranosyloxy)-2-methylenebutanoyl]-beta-D-glucopyranosyl}oxy)-2-methylenebutanoyl]-1-O-(4-hydroxy-2-methylenebutanoyl)hexitol","w/o MS2:norambreinolide","w/o MS2:3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one","w/o MS2:Oleandomycin","w/o MS2:3-(4-fluorophenyl)-5,6,9-trimethyl-7H-furo[3,2-g]chromen-7-one","w/o MS2: Orlistat","w/o MS2: ALIZARIN","w/o MS2:Cyclopamine","w/o MS2:Phenethylamine","w/o MS2:(3R)-3-(3,4-dimethoxyphenyl)-8-hydroxy-3,4-dihydroisochromen-1-one","w/o MS2:NCGC00180516-03!2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol [IIN-based on: CCMSLIB00000847949]","w/o MS2:1-Decanoyl-2-hydroxy-sn-glycero-3-phosphocholine","w/o MS2:NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846986]","w/o MS2:1,5-dimethyl-1-vinyl-4-hexenyl acetate","w/o MS2:Azelaic acid","w/o MS2:NCGC00386027-01_C27H42O3_Spirost-5-en-3-ol, (3beta,25R)-","w/o MS2:5,6,7-triacetoxy-3-benzoyloxy-14,15-dihydroxy-9-oxojatropha-6(17),11E-diene (8)","N,N-DIMETHYLARGININE","w/o MS2:3-(4-hydroxyphenyl)-10-(1-isobutyl-2-oxo-1,2-dihydroquinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione","w/o MS2:Butyryl carnitine (isomer of 919)","w/o MS2:C9H7NO; PlaSMA ID-178","11-Oxomogroside IIE","Creatinine","Tris(1-chloro-2-propyl)phosphate","w/o MS2: Triacetin","w/o MS2: MMV099637","w/o MS2:(4E)-4-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]oxolan-2-one","w/o MS2: Azithromycin","NCGC00180497-02!","w/o MS2:Lopinavir (ABT-378)","w/o MS2:Carnosic Acid","w/o MS2:CYTIDINE 5'-DIPHOSPHOCHOLINE","w/o MS2:5-hydroxy-2,2,6,6-tetramethyl-4-[2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propyl]cyclohex-4-ene-1,3-dione","w/o MS2:Protostemonine","N-Acetylleucine","w/o MS2:Isorhamnetin 3-galactoside","w/o MS2:methyl asterrate","w/o MS2:\"(3R,5S,7R,9S,10S,12S,13R,17R)-17-((2R)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol\"","w/o MS2:Epigallocatechin","w/o MS2: MMV002816","w/o MS2: Valactamide D putative","w/o MS2:Lecanoric Acid","w/o MS2:3-hydroxy-2-octylpentanedioic acid","w/o MS2:Rivulariapeptolide 988","w/o MS2:NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid","w/o MS2: N-Cyclohexylformamide","w/o MS2:NCGC00385224-01_C24H42O12_6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-8-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","w/o MS2:Geniposidic acid","w/o MS2: MLS001306441-01!","w/o MS2:(2R,4'aR,5'S,6'R,6'aS,10'aR,10'bR)-6'-(acetyloxy)-4'a,6'a,10'b-trimethyl-5''-oxo-decahydro-1'H-dispiro[oxirane-2,7'-naphtho[2,1-b]pyran-3',3''-oxolane]-5'-yl 2-methylpropanoate","w/o MS2:Homostachydrine; CE0; XULZWQRXYTVUTE-ZETCQYMHSA-N","w/o MS2:Butyric acid","w/o MS2:[(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate","w/o MS2:Pseudacyclin A","w/o MS2:NCGC00384618-01_C33H50O10_(1beta,3beta,9xi,11alpha,14xi)-1,3,11-Trihydroxyfurosta-5,20(22),25-trien-27-yl beta-D-glucopyranoside","w/o MS2:1,3-Dimethyl-2-imidazolidinon","w/o MS2:NCGC00380205-01_C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo-","w/o MS2:Apigenin 7-O-glucoside","w/o MS2:methyl (4aS,5R,7S,7aS)-7-hydroxy-5-[3-(4-hydroxyphenyl)propanoyloxy]-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate","w/o MS2:Benzanthrone","w/o MS2:vina-ginsenoside R3","w/o MS2:Benalaxyl","w/o MS2: NCGC00179850-02_C42H66O16_Hexopyranose, 1-O-[(3beta,5xi,9xi)-3-(hexopyranuronosyloxy)-23,24-dihydroxy-28-oxoolean-12-en-28-yl]-","w/o MS2:2-Aminoacetophenone","w/o MS2:MMV020320","w/o MS2:NCGC00380734-01_C39H65NO10_2-{6-[5-Hydroxy-3-(2-hydroxy-2-propanyl)-6a,9b-dimethyldodecahydrocyclopenta[f]chromen-7-yl]-4a-methyl-3,4,4a,7,8,8a-hexahydro-2H-chromen-2-yl}-2-propanyl 2-acetamido-2-deoxy-6-O-methylhexopyranoside","w/o MS2: methyl palmitate","w/o MS2:Torulene","w/o MS2:NCGC00380355-01!(7E,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione [IIN-based on: CCMSLIB00000848983]","w/o MS2:Phenanzine-1-carboxylic acid","w/o MS2:Allethrin 2","w/o MS2:Gitoxin","w/o MS2: 18:1(2S-OH) Ceramide","w/o MS2:Hectochlorin","w/o MS2:4-hydroxy-4-(pyridin-2-yl)butan-2-one","w/o MS2:Moroidin","w/o MS2:3'-O-Methylluteolin 6-C-glucoside","w/o MS2:glycocholic acid","w/o MS2:Gastrodin","w/o MS2:Stenophylline A","w/o MS2:Mecillinam","w/o MS2:Histidine conjugated chenodeoxycholic acid","w/o MS2:Phthalic anhydride","w/o MS2:Sibutramine","w/o MS2:NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-pentenoic acid","w/o MS2:Fusaric acid","w/o MS2:pongaflavone","Abietin","w/o MS2: (1S,3R,6S,6aR,6bR,8S,9S,11R,11aR,12R,12aR,14R)-1-ethyl-6,8,11-trihydroxy-3-methyl-10-methylenetetradecahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocine 1-oxide","w/o MS2:20(S),24(R)-Ocotillol","Prespatane","w/o MS2:NCGC00384706-01_C49H78O19_(3beta,5xi,9xi,13xi,16beta,17xi,22R,23R,24R)-3-{[alpha-L-Arabinofuranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranosyl]oxy}-20-hydroxy-24-methyl-16,23:16,30-diepoxydammar-25-en-22-yl acetate","w/o MS2:NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol [IIN-based on: CCMSLIB00000846358]","w/o MS2: Phentolamine mesilate","w/o MS2: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol","w/o MS2:gamma-Tocotrienol","w/o MS2:NCGC00381226-01_C20H30O12_Hexopyranoside, 3,4-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-","w/o MS2:MLS001148457-01!21-DESOXYCORTISOL","w/o MS2:NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based on: CCMSLIB00000846980]","w/o MS2:5,7-dihydroxy-2-(3-methoxy-4-(((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(((2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one","w/o MS2:N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(1H-indol-3-yl)acetamide","w/o MS2:APIGENIN DIMETHYL ETHER","w/o MS2: Fucoxanthin","w/o MS2: (E)-5-hydroxy-3-isobutyl-6-(3-methylbenzylidene)-1,6-dihydropyrazin-2(3H)-one","w/o MS2:Sparteine","w/o MS2:Harmalol","Methionine","(Z)-7-((butyl(methyl)ammonio)methyl)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-olate","w/o MS2:\"(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol\"","w/o MS2:thymol","w/o MS2:\"NCGC00160331-01!2-Methyl-naphtho[1,2,3-de]quinolin-8-one\"","w/o MS2:NCGC00385369-01_C32H48O9_Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-, (3beta,5beta,8xi,9xi,16beta)-","w/o MS2:Minocycline","w/o MS2:5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid","w/o MS2:Pyridoxal-5'-phosphate hydrate","w/o MS2:NCGC00180052-02_C21H36O10_beta-D-Glucopyranoside, (1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl 6-O-alpha-L-arabinopyranosyl-","w/o MS2:3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6R)-6-[(1R,3R,6S,8R,12S,15R,16R)-13,17-dihydroxy-7,7,12,16-tetramethyl-6-{[(2R)-3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl]oxy}pentacyclo[9.7.0.0?,?.0?,?.0??,??]octadecan-15-yl]-2-methylhept-2-enoate","w/o MS2: MMV020670","w/o MS2:Pseurotin A_120184","w/o MS2:NCGC00180112-02!2-amino-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid","w/o MS2:Biotin","L-Histidinol","w/o MS2:(R)-2,5,7,8-tetramethyl-2-((4S,8S)-4,8,12-trimethyltridecyl)chroman-6-ol","w/o MS2:Ala-Ile","Hexamethylquercetagetin","w/o MS2:Diflufenzopyr","w/o MS2:NCGC00347395-02_C28H46O9_(3beta,5beta,9beta,10alpha,13alpha,15R)-16-(beta-D-Galactopyranosyloxy)-3-hydroxypimar-8(14)-en-15-yl acetate","w/o MS2: 11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2: Roseotoxin A","w/o MS2:Mycosporine glutamicol","w/o MS2:(5S)-5-hydroxy-1,7-diphenylheptan-3-one","w/o MS2:[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aS,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate","w/o MS2:Smenamide C or D","w/o MS2:Keracyanine","w/o MS2:Quinidine","w/o MS2:Symplostatin","w/o MS2:[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","w/o MS2:NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000848992]","w/o MS2:Guanosine","w/o MS2:methyl (5Z)-5-[2-(4-hydroxy-3-methoxybenzoyl)oxyethylidene]-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","w/o MS2:icos-19-ene-1,2,4-triol","w/o MS2:bonactin","w/o MS2:NCGC00385342-01!3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one [IIN-based on: CCMSLIB00000846120]","w/o MS2:Glimepiride","w/o MS2:Perseitol Heptaacetate","Norleucine","w/o MS2: (8Z,8'Z)-8,8'-bis(((3,4-dimethoxyphenethyl)amino)methylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione","w/o MS2:NCGC00381029-01!1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one","w/o MS2:methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate","w/o MS2:NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-","w/o MS2:Anisodamine","w/o MS2:(S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(2-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)ethyl)-4-(methylthio)butanamide","w/o MS2: 3,8-di((E)-but-2-en-1-yl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione","w/o MS2: Aleuretic Acid","w/o MS2:Sclerotiamide_130024","w/o MS2:(2R,2'R,4a'S,6'R,8a'S)-7-formyl-4-hydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[benzofuran-2,1'-naphthalen]-6'-yl acetate","w/o MS2:NCGC00180281-02_C22H33NO5_D-Valine, N-acetyl-, (5aS,9S,9aS)-1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester","w/o MS2:NCGC00386037-01_C21H30O10_4-Allylphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","w/o MS2:(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol","w/o MS2:hexyltyrazolone","w/o MS2:schisandrin B","w/o MS2: Tetrahydrospirilloxanthin; FAB-EBEB; MS2; m/z","w/o MS2:N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine","w/o MS2:(1S,7aR)-7-((((2S,3R)-2,3-dihydroxy-2-isopropylbutanoyl)oxy)methyl)-1-hydroxy-4-methyl-1,2,3,4,5,7a-hexahydropyrrolizin-4-ium iodide","w/o MS2:MLS001148144-01!","w/o MS2:Fosthiazate","w/o MS2:N-Benzyloxycarbonylglycine","w/o MS2:3,4-di-O-galloylquinic acid","w/o MS2:D-MANNOSAMINE","w/o MS2:desmethylenylnocardamine","w/o MS2:Guanosine 5'-diphosphate-D-mannose","w/o MS2:(-)-Curcumol","w/o MS2:Gly-Tyr","w/o MS2:Protopine","w/o MS2:Ritonavir","w/o MS2:Pentaethylene glycol","w/o MS2:1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one","w/o MS2:Methylazinphos","w/o MS2: (3S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-((4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetate","w/o MS2:4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acid","w/o MS2:NCGC00168846-02!(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid","w/o MS2: Agelasine (Stereochemistry Of Diterpene Unknown)","w/o MS2:N-((2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-((2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide","w/o MS2:(4R)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl nonanoate","w/o MS2:NCGC00381117-01!2-amino-4-hydroxy-5-[[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]amino]-5-oxopentanoic acid","w/o MS2:Carnosic acid diacetate methyl ester","w/o MS2: Kirenol","w/o MS2:NCGC00179885-03_C36H52O12_(4R,9beta,16alpha,23E)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-2-yl beta-D-glucopyranoside","w/o MS2:honokiol","w/o MS2:Octocrylene","w/o MS2:N-Acetylmethionine","w/o MS2:3,7-dimethyl-6-octenyl acetate","w/o MS2: potassium (1R,5aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate","w/o MS2:11A-Acetoxyprogesterone","w/o MS2:Lovastatin acetylated hydroxylated putative derivative C26H40O6 observed in fungal symbiont H","w/o MS2: ETHYL METHYL KETONE","w/o MS2:N-((S)-1,2,3-trimethoxy-10-(((S)-1-(8-methoxy-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-4-(methylthio)-1-oxobutan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2: NCGC00385238-01_C25H36O4_","w/o MS2:Euphoractine T from S.guyanensis","w/o MS2:L-Proline","w/o MS2: Ergocristine; LC-ESI-QTOF; MS2; CE","w/o MS2: 6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one","w/o MS2: (5S)-17-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one","w/o MS2:Speciosine","w/o MS2:Hordenine","w/o MS2:\"Orlistat (Alli, Xenical)\"","w/o MS2:MMV676064","w/o MS2:NCGC00385824-01!methyl 2,4,10-triacetyloxy-5,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate [IIN-based: Match]","w/o MS2:\"Azathioprine (Azasan, Imuran)\"","w/o MS2:3,9-Dimethoxypterocarpan","w/o MS2:Hesperetin","w/o MS2:\"(6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate\"","w/o MS2:MMV676063","w/o MS2:Pesticide4_Cymoxanil_C7H10N4O3_(2E)-2-Cyano-N-(ethylcarbamoyl)-2-(methoxyimino)acetamide","w/o MS2:Medazepam","w/o MS2:Hexa-methoxymethyl-melamine","Inosine","w/o MS2:1-(9-hydroxy-2-isopropyl-10-(2,3,4-trimethoxyphenyl)pyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(2H,7H,10H)-yl)ethanone","w/o MS2:NCGC00385411-01_C24H28O10_Spiro[furan-3(2H),1'(4'H)-naphthalene]-4'a,5'(5'H)-dicarboxylic acid, 6'-(acetyloxy)-5-(3-furanyl)-4,5,6',7',8',8'a-hexahydro-5'-hydroxy-2'-methyl-2-oxo-, dimethyl ester","w/o MS2:NCGC00380821-01!","w/o MS2:NCGC00385061-01_C36H54O12_Estr-5-ene-3,11-dione, 17-[(1R,3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (2beta,9beta,10alpha,16alpha,17beta)-","w/o MS2:Desoximetasone","w/o MS2:Miliiamine C 20-Ac, (or positional isomer)","w/o MS2:NCGC00380965-01_C19H24O4_11a-Hydroxy-4,4,9-trimethyl-9-vinyl-1,2,3,4,9,10,11,11a-octahydrodibenzo[c,e]oxepine-5,7-dione","w/o MS2:Natamycin (Pimaricin)","w/o MS2: Kaurenoic acid","w/o MS2:Oleandrin","w/o MS2:Myxalamid B","w/o MS2:NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid","w/o MS2:NCGC00384801-01_C47H80O18_(3beta,5xi,6alpha,9xi,12beta)-3,12-Dihydroxy-6-{[2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}dammar-24-en-20-yl beta-D-glucopyranoside","w/o MS2:NCGC00380619-01_C27H37NO7_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalene]-7(3H)-butanoic acid, 3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-6-oxo-, (2R,2'R,6'S,7'R,8'aS)-","w/o MS2:Loperamide hydrochloride","w/o MS2:[5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate","w/o MS2:(Z)-9-(1-isopropyl-1H-pyrazol-5-yl)-2-(3,4,5-trimethoxybenzylidene)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:NCGC00347423-02!3-[(3S,5S,8R,10S,13R,14S,17R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2: Pemetrexed","w/o MS2:Bussein","w/o MS2:NCGC00385705-01_C43H68O14_(3beta,5xi,9xi,16beta,18xi,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-[(2-methylbutanoyl)oxy]olean-12-en-3-yl beta-D-glucopyranosiduronic acid","w/o MS2:Apicidin _120249","w/o MS2:MMV676048","w/o MS2:GLUTAMINE","w/o MS2:Taurolithocholate","w/o MS2:2-QUINOLINECARBOXYLIC ACID","w/o MS2:Hirsutine","w/o MS2:(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid","w/o MS2:NCGC00380711-01_C32H44O12_Propanoic acid, 2-methyl-, (3S,3aR,4R,6S,7R,10E,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclododecen-7-yl ester","w/o MS2:GalNAc2FucGlcNAcGA","w/o MS2:3-Hydroxy-4-ketotorulene","w/o MS2:(1S,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecan-6-one","w/o MS2:3-methoxy-2-(3-methylbut-2-enyl)-5-pentylphenol","w/o MS2: Strychnine","w/o MS2:NCGC00385175-01!7-hydroxy-3-(2-oxochromen-7-yl)oxy-8-[2-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl]chromen-2-one","w/o MS2:C27H33NO10; PlaSMA ID-2785","w/o MS2:[(1S,3R,3aS,4S,8aR)-1-acetyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate","w/o MS2:Yersiniabactin","w/o MS2:10-OH-Mesaconitine","w/o MS2:tabersonine","w/o MS2:1-(2-methylpropylidene)-4-(propan-2-yl)-1H,2H,3H,4H,6H-piperazino[2,1-b]quinazoline-3,6-dione","w/o MS2: Alpha-Boswellic acid","w/o MS2:NCGC00179985-02![(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate","w/o MS2: NCGC00381386-01!2-(7-hydroxy-6-methyloctyl)-2H-furan-5-one","w/o MS2:Olivetoric acid","w/o MS2:Scillisecocrinine","w/o MS2:NCGC00384484-01_C36H44N8O8_Cyclo(glycyltryptophylprolylglycylvalylglycyltyrosyl)","w/o MS2:\"5,6-DIHYDROURACIL\"","[(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate","w/o MS2: 2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid","w/o MS2:DL-NORMETANEPHRINE","w/o MS2:1-Amino-2-methylanthraquinone","PharmaGSID_48511","4-AMINOBUTANOATE","w/o MS2:Pyridate","1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE","w/o MS2: Orcinol gentiobioside","w/o MS2:NCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone","w/o MS2: deltaline","w/o MS2:Methylnissolin-3-O-glucoside","Palmitoleoyl Ethanolamide","w/o MS2:16:0 PS (1,2-dihexadecanoyl-sn-glycero-3-phospho-L-serine (sodium salt))","w/o MS2:NCGC00381133-01_C17H28O12_","w/o MS2:NCGC00385400-01_C19H18N2O2_3,3-Di(1H-indol-3-yl)-1,2-propanediol","w/o MS2:Cefoperazone (Cefobid)","w/o MS2:Ethyl 3-(N-butylacetamido)propionate","w/o MS2:Osajin","w/o MS2:AVOCADYNE","w/o MS2:14-Deoxy-11,12-didehydroandrographolide","w/o MS2:Tentoxin","w/o MS2:h_68_calusterone","w/o MS2:NCGC00385749-01!5-nonadecylbenzene-1,3-diol","LPE 18:1","w/o MS2:Serotonin hydrochloride","w/o MS2:6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid","w/o MS2:Pesticide3_3-Hydroxycarbofuran_C12H15NO4_3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate)","w/o MS2:Fenuron","w/o MS2:NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate","w/o MS2:Djenkolic Acid","w/o MS2:Glycerophosphorylcholine","w/o MS2:HYDROCORTISONE HEMISUCCINATE","w/o MS2:NCGC00385997-01!5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one","1,6-O,O-diacetylbritannilactone","2-Methylpyrrolidine; CE10; RGHPCLZJAFCTIK-UHFFFAOYSA-N","w/o MS2:Octanoylcarnitine","w/o MS2:Canarione","w/o MS2: Boldenone_Undecylenate; LC-ESI-QTOF; MS2; CE","w/o MS2:Carboxyomeprazole","w/o MS2:NCGC00179823-03![14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [IIN-based: Match]","w/o MS2:Pitavastatin","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-13-(acetyloxy)-26-(2,6-dimethylmorpholin-4-yl)-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,2...","w/o MS2:7,8-dimethoxy-benzo[d][1,2]oxazin-1-one","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-26-[4-(pyrimidin-2-yl)piperazin-1-yl]-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-h...","w/o MS2:Alpha-Tocopherol","w/o MS2:Ouabain","w/o MS2:Mexiletine","w/o MS2:22a-Acetoxy-3-stictanone","w/o MS2:(S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-4-(methylthio)-N-(2-(2-oxopyrrolidin-1-yl)ethyl)butanamide","w/o MS2:[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl] acetate","w/o MS2:Desethylatrazine","Erucamide","w/o MS2:Glucosidetathione(reduced form)","w/o MS2:paxilline","w/o MS2: NCGC00385640-01!5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","w/o MS2:Quizalofop-p-tefuryl","w/o MS2:NCGC00380192-01!","w/o MS2: vitamine a acetate","w/o MS2:NCGC00380364-01!","w/o MS2:O-glucopyranosylepiederagenin, 28-","w/o MS2:FUSIDIC ACID","w/o MS2:1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(furan-2-ylmethyl)-3-methylbutanamide","w/o MS2:NCGC00347802-02_C28H35N3O5_(1R,5R,7S,12R)-12-Hydroxy-4,4,4',4',12,14-hexamethyl-4'H,13H-spiro[9,14-diazatetracyclo[5.5.2.0~1,9~.0~3,7~]tetradecane-5,8'-[1,4]dioxepino[2,3-g]indole]-9',13(10'H)-dione","w/o MS2:NCGC00385282-01_C18H28O4_(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one","w/o MS2:NCGC00380699-01! [IIN-based on: CCMSLIB00000846061]","w/o MS2:Spermine","w/o MS2: 1-(1-hydroxybutyl)-1,3,4,5,6,7-hexahydro-2-benzofuran-4,5,6,7-tetrol","w/o MS2:Canthaxanthin","Ophiopogonin D'","w/o MS2:\"(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid\"","w/o MS2:Monticoline","NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate [IIN-based on: CCMSLIB00000845027]","w/o MS2:[(2R)-2-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate","w/o MS2:Isoflavone base + 3O, O-MalonylHex","Chaetoglobosin C","w/o MS2:NCGC00347776-02!3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid","w/o MS2:Leucine_Enkephalin","w/o MS2:NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846900]","w/o MS2: Evoxine","w/o MS2:CRUSTECDYSONE","w/o MS2:Ginkgolic Acid C17-1","w/o MS2:Tyrosine conjugated deoxycholic acid putative","w/o MS2:Dihydrosanguinarine","w/o MS2:N-ALPHA-ACETYLLYSINE","w/o MS2:senegenin","w/o MS2:Aceclofenac","w/o MS2:Imiquimod","w/o MS2:3,15-dibenzyl-1,4,12-trimethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone","w/o MS2:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol","w/o MS2: Erythromycin A enol ether","w/o MS2:N-((S)-10-(((2S,3R)-1-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:THYMOQUINONE","w/o MS2:ROBUSTIC ACID","w/o MS2:NCGC00347358-02_C38H58O15_Card-20(22)-enolide, 1-(acetyloxy)-3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-14-hydroxy-, (1beta,3beta,8xi,9xi)-","w/o MS2:PUROMYCIN HYDROCHLORIDE","w/o MS2:Kynurenic acid","w/o MS2:Nelarabine (Arranon)","w/o MS2:2-amino-9-methanesulfinylnonanoic acid","w/o MS2:(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide","w/o MS2:NCGC00385791-01!","w/o MS2:Sipeimine, 3-Ac","w/o MS2:Mulberrin","(2S,3S,4S,5S,6R)-2-(((2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-(((2aS,2'R,5'S,6aS,8aS,9S)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol","w/o MS2:NCGC00380116-01!2-hexyl-3-hydroxypentanedioic acid","w/o MS2:Dihydrostreptomycin","w/o MS2:Tjipanazole A1","w/o MS2:Esculentoside H","w/o MS2:Stepharine","w/o MS2:NCGC00384845-01_C44H62N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide","w/o MS2:4-Hydroxytamoxifen","w/o MS2:9-methoxycarbonyldec-9-enoic acid","w/o MS2:Esculentoside A","w/o MS2:Glyasperin D","1-Monostearin","Amphetamine","w/o MS2:NCGC00384703-01_C48H77NO17_Olean-12-en-28-oic acid, 16-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,16alpha,18xi)-","w/o MS2:ROTENONE","w/o MS2:methyl 2-((2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxamido)-4-(methylthio)butanoate","Cimiracemoside D","w/o MS2:betaine","w/o MS2:NCGC00380485-01!4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one","w/o MS2:NCGC00385917-01!5-phenyl-1,3-oxazolidin-2-one","w/o MS2:S-Lactoylglutathione","w/o MS2: culantraramine","w/o MS2:Oridonin","w/o MS2:Aurofusarin","w/o MS2:6-benzoylheteratisine","w/o MS2:NCGC00380148-01!6-(2,4-dihydroxy-3,5-dimethylhexyl)-4-hydroxy-3-methylpyran-2-one","sinapyl alcohol","w/o MS2: 7',8',9',10'-Tetrahydro-beta-cryptoxanthin; FAB-EBEB; MS2; m/z","w/o MS2: Methyl 3,4,5-trimethoxycinnamate","w/o MS2:Celastrol","w/o MS2:(R)-4-isobutyl-N-(4-methoxyphenyl)-1,5-dioxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinazoline-3a-carboxamide","w/o MS2:DCOIT","w/o MS2:NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]","w/o MS2:2,3-dihydro-1H-carbazol-4(9H)-one","w/o MS2: Lucidenic acid B","w/o MS2: NCGC00380405-01_C24H35NO5_1H-Cycloundec[d]isoindole-1,12,15-trione, 2,3,3a,4,6a,9,10,11,13,14-decahydro-11,13-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E)-","w/o MS2:N-Oleyl-Leucine","w/o MS2:NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","w/o MS2: rel-Methylenedioxy-tetramethoxy-epoxylignan","w/o MS2:Strombine","w/o MS2:(3R,4R,5R,6R)-2-(((2R,3S,4S,5R)-2-(((2'R,4R,4'S,5'R,6R,6aR,8aS,9S)-4,4'-dihydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol","w/o MS2:1-Methyladenosine","w/o MS2:MMV1037162","w/o MS2:2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid","w/o MS2:NCGC00380891-01_C24H30O5_2,4-Octadienoic acid, 6-methyl-, (1R,2S,7R,8aR)-7-(1-formylethenyl)-1,2,6,7,8,8a-hexahydro-7-hydroxy-1,8a-dimethyl-6-oxo-2-naphthalenyl ester, (2E,4E,6R)-","w/o MS2:Abyssomicin D","w/o MS2:NCGC00386015-01_C32H44O8_Estra-1,5-diene-3,11-dione, 17-[(1R,3E)-1-(acetyloxy)-5-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethyl-, (9beta,10alpha,16alpha,17beta)-","w/o MS2:ACTIPHENOL","w/o MS2:Candesartan","w/o MS2:Oxfendazole","w/o MS2:Sinomenine","w/o MS2:Dibutyl phthalate","w/o MS2:Harmaline","w/o MS2:NCGC00380188-01_C24H37NO4_(7E)-11-Hydroxy-3-isobutyl-12-methoxy-4,5,8-trimethyl-2,3,3a,4,6a,9,10,11,12,13-decahydrocyclodeca[d]isoindole-1,14-dione","w/o MS2:NCGC00380929-01_C14H22O4_(2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid","w/o MS2:NCGC00169456-02_C21H38O10_(1R,2R,4aS,5S,8S,8aR)-5,8-Dihydroxy-4a-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-8-methyldecahydro-1-naphthalenyl beta-D-glucopyranoside","w/o MS2:(-)-epicatechin gallate","w/o MS2:Bouillonamide A","w/o MS2:(5-benzoyloxy-3-chloro-4,6-dihydroxycyclohexen-1-yl)methyl benzoate","w/o MS2:ethyl 4-(1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl)benzoate","w/o MS2:Linezolide","w/o MS2: 25S-Inokosterone","w/o MS2:C12H23NO7S; PlaSMA ID-1760","w/o MS2:N-Benzylstearamide","w/o MS2: Ergosterol Peroxide_120246","w/o MS2:9-Methoxycamptothecin","w/o MS2:NCGC00381085-01![8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","w/o MS2:(+-)-alpha-Lipoic acid","w/o MS2:Quercetin 3-O-malonylglucoside","w/o MS2:(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(pyridin-2-ylmethyl)pentanamide","w/o MS2:Lobeline Hydrochloride","w/o MS2:(S)-2-((S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-4-(methylthio)butanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","w/o MS2:(2E,6E,10E)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid","w/o MS2:Stearoyl Ethanolamide","w/o MS2:Ciprofloxacin (Cipro)","w/o MS2: Sarsasapogenin","w/o MS2: (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate","w/o MS2:glycolithocholic acid","w/o MS2: 2-(4-oxoquinazolin-3(4H)-yl)ethyl isobutyrate","w/o MS2:INDOLE-3-ACETATE","w/o MS2:NCGC00380316-01!(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","w/o MS2:Telmisartan","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3-(3,4-dimethoxyphenethyl)-1H-1,2,4-triazol-5-yl)-4-(methylthio)butanamide","w/o MS2:NCGC00380108-02!(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid","w/o MS2:Kirenol","w/o MS2:Myricitrin","w/o MS2:andrastin A","w/o MS2:Gliovictin_120183","w/o MS2:Pretilachlor","w/o MS2:MENTHOL(-)","w/o MS2:NCGC00179693-03![(1S,4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl] (1S,4aS,6S,7R,7aS)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","w/o MS2:NCGC00380742-01_C22H25N3O3_9-Methoxy-12-(2-methyl-1-propen-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione","w/o MS2:NCGC00380373-01!2-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid","Adenosine","w/o MS2:Limonene","w/o MS2:(3E,7E,11E,15E)-5,9,13,17,18-pentahydroxy-4,6,8,10-tetramethyl-2-[(E)-2-methylbut-2-enyl]nonadeca-3,7,11,15-tetraenedioic acid","PC(16:0/18:1(9Z))","w/o MS2: 3,5,6,7,8,3',4'-Heptamethoxyflavone","deoxycommendamide (putative) or in source fragment -H2O observed in AGP sample","5'-S-Methylthioadenosine","w/o MS2:Daidzin","w/o MS2: Tanshinone I","w/o MS2:Ingliforib","w/o MS2:GalNAcFucGlcNAcGA-I","w/o MS2: 7-methoxy-2-methyl-3-phenyl-4H-chromen-4-one","w/o MS2:NCGC00385388-01_C21H34O11_(1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-Pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.0~4,9~]tetracos-12-en-11-one","w/o MS2:Vinorelbine (Navelbine)","w/o MS2:(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-2-(((3S,5R,6S,8R,10R,12R,13S,14R)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-((S)-6-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hept-5-en-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol","w/o MS2:Alanopine","w/o MS2:1-(1-hydroxybutyl)-1,3,4,5,6,7-hexahydro-2-benzofuran-4,5,6,7-tetrol","w/o MS2: 9,13-epoxy-3,15,16,18-labdanetetrol","w/o MS2:NCGC00347686-02!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide","6-(2-aminopyrimidin-4-yl)-4-butyl-7-hydroxy-8-methyl-2H-chromen-2-one","w/o MS2:Carbamoyl-Beta-Methoxy-Albicidin","w/o MS2:3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","w/o MS2:methyl (4S,5E,6S)-5-ethylidene-4-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","w/o MS2:2-hydroxy-1-isopentyl-4-methyl-1H-imidazol-5(4H)-one","w/o MS2:Glutamylglycine","w/o MS2:Dichlormid","w/o MS2:Pantethine","w/o MS2:N-acetyl-5-hydroxytryptamine","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(2,4-dimethoxyphenyl)-4-(methylthio)butanamide","w/o MS2:NCGC00385777-01_C19H32O8_(2R)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-2-butanyl beta-D-glucopyranoside","w/o MS2:7,2'-Dihydroxyflavone","w/o MS2:(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid","L-Pipecolic acid; CE0; HXEACLLIILLPRG-YFKPBYRVSA-N","w/o MS2:Adenosine 3',5'-cyclic monophosphate","w/o MS2:Griseofulvic Acid","w/o MS2:Acetoxyaureol","w/o MS2:2-Methyl-4'-(methylthio)-2-morpholinopropiophenone","w/o MS2:Paxisterol_120160","w/o MS2:Phenmedipham","w/o MS2:Ganoderenic acid E","w/o MS2:NCGC00347750-02!(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid [IIN-based on: CCMSLIB00000847931]","w/o MS2: NCGC00169348-03!(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-13-(acetyloxy)-15,17-dihydroxy-11-methoxy-26-[(4-methoxyphenyl)amino]-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25...","w/o MS2: Euojaponine D","w/o MS2:Austrobuxusin E","w/o MS2: Terbumeton; LC-ESI-ITFT; MS2; CE","w/o MS2:Austrobuxusin F","w/o MS2:2-Hydroxyquinoline","w/o MS2:NCGC00380330-01!2-(6-methyl-7-oxooctyl)-2H-furan-5-one","w/o MS2:Glipizide","w/o MS2:(E)-2-(2,4,5-trimethoxybenzylidene)-9-(2,3,4-trimethoxyphenyl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:4-oxo-5-phenylpentanoic acid","w/o MS2:Austrobuxusin I","w/o MS2:(2R,3R,4S,5S,6R)-2-[(2E)-4-ethenyl-2,5-dimethylhexa-2,5-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00347771-02_C36H58O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi,19alpha)-2,3,19,23,24-pentahydroxy-28-oxoolean-12-en-28-yl]-","w/o MS2:Coprogen","w/o MS2:Pilocarpine","w/o MS2:7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one","w/o MS2:angoletin","w/o MS2: Terbutaline; LC-ESI-QTOF; MS2; CE","w/o MS2:Nitrarine","w/o MS2:Salazinic acid","w/o MS2:NCGC00180690-03!2-[5,7-dihydroxy-3-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-isoindol-2-yl]pentanedioic acid","w/o MS2:8-hydroxy-11-(hydroxymethyl)-1,5,11-trimethyltricyclo[6.2.1.0?,?]undec-2-en-9-one","w/o MS2:8-(azepan-1-ium-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-olate","w/o MS2:ERYTHRITOL","w/o MS2:NCGC00385509-01_C29H38O12_Methyl 2-(hexopyranosyloxy)-4-({6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate","w/o MS2:NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene","w/o MS2:Pirinixic acid","w/o MS2:NCGC00384928-01_C22H32O5_(2E)-3-(Acetoxymethyl)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid","w/o MS2:NCGC00385752-02_C18H28O11_1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-methoxy-1-methyl-, methyl ester, (1R,4aS,8S,8aS)-","w/o MS2:picrotin","w/o MS2:NCGC00381153-01![4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate","w/o MS2:NCGC00385570-01![1,3,12-triacetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] 2-hydroxy-3-methylbutanoate","w/o MS2:alpha-Santonin","w/o MS2:C18H37NO4; PlaSMA ID-1812","w/o MS2:2,2'-(3-Chlorophenylimino)diethanol","w/o MS2:Lucidenic acid B","w/o MS2:Thonizide","w/o MS2:Lucidenic acid C","w/o MS2:Lucidenic acid A","w/o MS2:Glutamyl-S-allylcysteine","1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine","galbulin","w/o MS2:Andrachcinidine","w/o MS2:2-Methylimidazole","w/o MS2:Euphorbia factor L14 - Lathyrane diterpenoid","w/o MS2:(1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.0?,?]tetracos-12-en-11-one","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(3,5-dimethylphenyl)methyl]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen...","w/o MS2:NCGC00386057-01_C19H28N2O6_1-{5-O-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]pentofuranosyl}-2,4(1H,3H)-pyrimidinedione","w/o MS2: harringtonine","w/o MS2:4-Methylvaleric acid","w/o MS2:(9S,18R,21R)-15-benzyl-6-(4-((tert-butoxycarbonyl)oxy)benzyl)-21-(3-guanidinopropyl)-18-isobutyl-2,2,9-trimethyl-4,7,10,13,16,19-hexaoxo-3-oxa-5,8,11,14,17,20-hexaazadocosan-22-oic acid","w/o MS2:HYPOXANTHINE","w/o MS2:NCGC00380340-01_C10H14O4_2H-Oxecin-2-one, 5,8,9,10-tetrahydro-5,8-dihydroxy-10-methyl-, (3Z,6E)-","w/o MS2:cyclopamine","w/o MS2:Thalsimine","w/o MS2:3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","w/o MS2:5-Caffeoylquinic acid","w/o MS2: Argininosuccinic acid; CE0; KDZOASGQNOPSCU-WDSKDSINSA-N","w/o MS2:NCGC00385403-01_C29H34O9_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, alpha-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (4R,4aR,7R,8S,11R)-","w/o MS2:NCGC00179759-02_C19H14N4O2_Quinazolino[3',2':1,6]pyrido[2,3-b][1,4]benzodiazepine-9,16-dione, 6,7,7a,8-tetrahydro-","w/o MS2:[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate","w/o MS2:NCGC00385630-01![6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","Acetylcimigenol arabinoside","w/o MS2:NCGC00380700-01_C27H32O10_Methyl (2S)-[(5S,6S,10S,12S,13R,15S,19S)-6-(3-furyl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0~2,12~.0~5,10~.0~10,12~.0~13,18~]nonadec-19-yl](hydroxy)acetate","w/o MS2:3-(1H-indol-3-ylmethyl)-6,18-dimethyl-12-(1-phenylethyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone","w/o MS2:5-HYDROXYLYSINE","Glutathione (reduced)","w/o MS2:5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol","w/o MS2:NCGC00381433-01!4-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-7-methyl-6-oxonaphtho[1,2-c]isochromene-10-carboxylic acid","w/o MS2: 6-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-1H-pyrazol-5-yl)-2,3-dihydrobenzo[b][1,4]dioxin-5-ol","w/o MS2:NCGC00347805-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol [IIN-based on: CCMSLIB00000847513]","w/o MS2: Amphotericin X/B2","w/o MS2:Pesticide3_Dioxacarb_C11H13NO4_Phenol, 2-(1,3-dioxolan-2-yl)-, methylcarbamate","w/o MS2:Homatropine","w/o MS2:Ochropposinine","w/o MS2:Peimine","w/o MS2:NCGC00180820-03_C25H38O4_(5xi,9xi)-Beyer-15-en-18-yl methyl succinate","w/o MS2:trans-5-O-Caffeoylquinic acid","w/o MS2:PYR_300.1709_10.6","w/o MS2:(1R,2R,4S,7S,8R,9R,10S,11R,12S,13S,14R,17R,18R,19R)-8-(acetyloxy)-10,19-dihydroxy-1,9,18-trimethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.0?,??.0?,??.0?,??.0??,??]docos-5-ene-5-carboxylic acid","w/o MS2:NCGC00347780-02_C38H61NO9_3-[(2-Acetamido-2-deoxyhexopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid","w/o MS2:NCGC00347828-02_C24H37NO5_(7E)-11,12,13-Trihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione","w/o MS2:Dioscin","w/o MS2:4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid","w/o MS2: geniposide","w/o MS2:Forsythoside E","w/o MS2:Dicyclohexyl sulfosuccinate","w/o MS2: D-Ala-D-ala","w/o MS2:NCGC00347524-02_C23H34O15_Cyclopenta[c]pyran-4-carboxylic acid, 1-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-","w/o MS2:Ganoderenic acid D","10-Shogaol","w/o MS2:tBuO-val-hexanoate (tert-butyl hexanoylvalinate)","Ceratodictyol","Ethyl-4-dimethylaminobenzoate","w/o MS2: bilobol","w/o MS2:Cinchophen","w/o MS2:NCGC00169065-03_C16H15NO4_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-(4-methoxyphenyl)-","w/o MS2:Cytidine 5_-triphosphate","w/o MS2:Dicyclohexylamine","w/o MS2:Daphnetin","w/o MS2:Ophiogenin 3-O-beta-L-rhamnopyranosyl-(1??????2)-beta-D-glucopyranoside","w/o MS2:Tamoxifen","w/o MS2:Hexaconazole","w/o MS2:MCLF","w/o MS2:NCGC00347678-02!7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one","w/o MS2:MCLA","2-O-Methyladenosine","w/o MS2:(S)-4-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(benzo[d][1,3]dioxol-5-ylmethyl)butanamide","Thymine","w/o MS2:METHYL 4-AMINOBUTYRATE","w/o MS2:Phenmetrazine","w/o MS2:NCGC00180593-02!2-[2-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-3,4-bis(3,4-dihydroxyphenyl)cyclobutanecarbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid","w/o MS2:[6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate","w/o MS2:(3R,4S,5S,6R)-2-(6-hydroxy-2,6-dimethylocta-2,7-dienoxy)-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00384513-01_C42H64O19_(3beta,5alpha,9xi)-3-{[beta-D-Glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-L-idopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide","w/o MS2:3,6-dibenzyl-9-[(2,3-diamino-1,2-dihydroindol-3-yl)methyl]-1,4,7-triazonane-2,5,8-trione","Ergocristine","w/o MS2:NCGC00169179-03![(5R,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-6,7-dihydroxyocta-2,4-dienoate","w/o MS2:NCGC00246789-03![3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate","w/o MS2: NPE_325.1547_12.8","w/o MS2:Butoconazole nitrate","w/o MS2:NCGC00380629-01!(3R)-4-[6-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid","w/o MS2:NCGC00380848-01!(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol [IIN-based on: CCMSLIB00000847650]","w/o MS2:Dehydroepiandrosterone","w/o MS2:Hyoscyamine","w/o MS2: Phosphatidylethanolamine (16:0/16:1) Abbr: PPoPE or (14:0/18:1) Abbr: MOPE","w/o MS2:Salinomycin, Sodium","w/o MS2:MLS000069411-01!PREGNENOLONE ACETATE","w/o MS2:\"(2S,3S,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid\"","w/o MS2: 12-deoxy-5beta-hydroxy-phorbol-13-hexadecanoate","w/o MS2:Lithium potassium Acetyl phosphate","w/o MS2:NCGC00380778-01_C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","w/o MS2: 2-((4-ethyl-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-5-yl)oxy)-N-isopropylacetamide","w/o MS2:Alpinetin Methyl Ether","3-hydroxy-N-((6R,9R,12R,15R,18S,23aS)-22-hydroxy-18-isobutyl-2,3,3,5,9,11-hexamethyl-6-(3-methylbutan-2-yl)-1,4,7,10,13,16,19-heptaoxo-12-phenyldocosahydropyrrolo[1,2-g][1,4,7,10,13,16,19]oxahexaazacyclohenicosin-15-yl)picolinamide","w/o MS2:NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000845233]","w/o MS2:NCGC00384522-01! [IIN-based: Match]","Matrine","w/o MS2: SPI_298.2741_15.1","w/o MS2:FR2","Triethylphosphate","w/o MS2:Glutathione (reduced)","w/o MS2:\"(3R,6R)-1-hydroxy-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-3-yl hydrogen sulfate\"","w/o MS2:5-amino-3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]-5-oxopentanoic acid","w/o MS2:THIAMINE MONOPHOSPHATE","Ophiopogonoside A","w/o MS2:Acetylsalicylic acid","w/o MS2:gmelinol","w/o MS2:Gly-Val","w/o MS2:CP-863187","w/o MS2:Methyllycaconitine","w/o MS2:Coprogen B","w/o MS2:NCGC00179981-03!9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one","w/o MS2:NCGC00384606-01![4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000847875]","w/o MS2:MLS001076270-01!21-HYDROXYPROGESTERONE64-85-7","w/o MS2:Nilotinib","(3S,4S,5R)-2-(((2R,3R,4R,5S)-4,5-dihydroxy-2-(((2aR,4S,5aS,7S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((3S,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)hexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2:Pesticide3_Pyraclostrobin_C19H18ClN3O4_Methyl [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamate","w/o MS2:maltotriose","w/o MS2:NCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848669]","w/o MS2:Dehydrocorydaline","w/o MS2:Nargenicin A1","w/o MS2:Sinapic acid","w/o MS2:MMV634140","w/o MS2:narcotine","w/o MS2:Punicalin","w/o MS2:NCGC00380346-01!2-(7-hydroxyoctyl)pentanedioic acid [IIN-based on: CCMSLIB00000846675]","w/o MS2:NCGC00384944-01_C21H28O14_","w/o MS2:beta-N-Methylaminoalanine","w/o MS2:Glandicoline B","w/o MS2:NCGC00385410-01!2,3-dihydroxypropyl 3-hydroxy-13-methyltetradecanoate","w/o MS2:\"Toremifene Citrate (Fareston, Acapodene)\"","w/o MS2:NCGC00347495-02_C23H32O6_Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-7-carboxaldehyde, 3',4',4'a,5',6',7',8',8'a-octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-","w/o MS2:[(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:sulfite (Sodium sulfite)","w/o MS2:2-Oxobutyric Acid","w/o MS2:NCGC00270979-02![6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate [IIN-based on: CCMSLIB00000845297]","w/o MS2:[(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(2-isobutyl-1H-benzo[d]imidazol-6-yl)-4-methylpentanamide","FA 18:4+1O","w/o MS2:NCGC00380446-01_C16H19N3O5_11-Hydroxy-11-isopropyl-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione","w/o MS2:Wulignan A1","w/o MS2:1,2,6b,9,9,12a-hexamethyl-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid","w/o MS2:Dihydrojasmonic Acid","w/o MS2:Histamine","w/o MS2:NCGC00385735-01_C45H68O14_","w/o MS2: MLS001056761-01!","w/o MS2:N-behenoyl-5-hydroxytryptamide","w/o MS2:Vindoline","Quinolone","w/o MS2:Epicatechocorynantheidine","w/o MS2:Hypothallin","w/o MS2:NCGC00160306-01!10-Dehydroxy-10-(N-epsilon-caprolactam-3-yl)-amino-demecolceine","w/o MS2:Roccanin","w/o MS2: ISOFEBRIFUGINE (B604866K055)","w/o MS2:TRYPTOPHAN","w/o MS2:MLS001076475-01!TETRAETHYLTHIURAM DISULFIDE97-77-8","w/o MS2:methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate","w/o MS2:plumieride","w/o MS2: (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide","w/o MS2:NCGC00381399-01!4-hydroxy-3,5,6-trimethylpyran-2-one","w/o MS2:NCGC00385214-01_C35H54O9_beta-D-Xylopyranoside, 1,3,4,6,7,7a,7b,8,9,10,11,13,13a,15,15a-pentadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]oxepin-2-yl","w/o MS2:Napsamycin C","w/o MS2: methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate","w/o MS2:Flavanone base + 2O","w/o MS2:Albuterol","w/o MS2:Obacunone","w/o MS2:8-O-Acetyl shanzhiside methyl ester","w/o MS2:NCGC00160189-01!8-OXO-PSEUDOPALMATINE","w/o MS2:Nefazodone","w/o MS2:2-Hydroxyatrazine","w/o MS2:MLS001076487-01!Ouabain octahydrate","w/o MS2:allantonin","w/o MS2:NCGC00385100-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate [IIN-based on: CCMSLIB00000849026]","w/o MS2:(2R)-2-(2-((11aS)-1,3-dioxo-5-(p-tolyl)-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzamido)-3-(methylthio)propanoic acid","w/o MS2:Ergovaline","w/o MS2:NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","w/o MS2:Leucomalachite Green","w/o MS2:Benactyzine","w/o MS2:Idarubicin HCl","w/o MS2:8-Shogaol","w/o MS2: C9H8O2; PlaSMA ID-95","w/o MS2:3,3',5,5'-Tetramethylbenzidine","Isoleucylserine; PlaSMA ID-818","w/o MS2:naringenin","w/o MS2:h_39_boldenone","w/o MS2:Ubidecarenone","w/o MS2:NCGC00095528-05!7-methoxychromen-2-one","w/o MS2:lysergol","w/o MS2: MLS001076298-01!","w/o MS2:NCGC00380664-01!4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol","w/o MS2:populin","w/o MS2: Ginkgolic Acid C13-0","w/o MS2:Dihydrolycorine","w/o MS2:2-methylquinazolin-4-ol","w/o MS2:QUININE SULFATE","w/o MS2:Kudinoside D","w/o MS2: 2-Phenylethyl b-D-glucopyranoside","w/o MS2:MMV689243","w/o MS2: Ganoderic acid I","w/o MS2:NCGC00380171-01_C20H28O11_Pentanedioic acid, 3-hydroxy-3-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl methyl ester","w/o MS2:Isoleucylglutamine","w/o MS2: Corynoxeine","w/o MS2:Caramboxin","w/o MS2:COENZYME A","w/o MS2:Lacosamide","w/o MS2:NCGC00384922-01!(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol","w/o MS2: NCGC00385528-01_C29H40O10_7aH,13aH-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-1,3a,11,11a-tetrahydroxy-9,15a-dimethyl-, (1S,3aS,3bR,6aR,9R,11R,11aS,12aR,13aR,15aS)-","w/o MS2:7-hydroxy-3-(2-oxochromen-7-yl)oxy-8-[2-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl]chromen-2-one","w/o MS2:Adenosine-5'-monophosphate","w/o MS2:NCGC00385020-01_C15H22O3_(3aR,4aS,5S,5aR,6aR)-5-(3-Hydroxybutyl)-5a-methyl-3-methyleneoctahydro-2H-cyclopropa[f][1]benzofuran-2-one","w/o MS2: ethyl 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate","w/o MS2:rescinnamine","w/o MS2:Genistein","w/o MS2:NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000845022]","w/o MS2: NCGC00384783-01_C17H25NO3_Azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione, 8-ethyldodecahydro-11-methyl-, (7aR,8R,8aS,11S,11aS,11bR,11cR)-","w/o MS2:NCGC00380933-01_C20H30O5_1-Cyclopentene-1-octanoic acid, gamma-(acetyloxy)-3-oxo-2-(2-penten-1-yl)-","w/o MS2:Coralyne Chloride","Tyramine","w/o MS2: 4-Ketoalloxanthin; FAB-EBEB; MS2; m/z","w/o MS2: Glyceryl tridodecanoate","w/o MS2:2-Chlorobenzenesulfonamide","w/o MS2: NCGC00380322-01!2-[3,21-dihydroxy-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Desferrioxamine B","w/o MS2: Scalarin","w/o MS2:2-(5-methoxy-4,8,8-trimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-3-yl)-N-(pyridin-2-yl)acetamide","Gypsogenin 3-O-beta-D-glucuronopyranoside","w/o MS2:NCGC00386109-01_C50H64O16_","w/o MS2:NCGC00381171-01![1-[[1-[1-[[1-(2,3-dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate [IIN-based on: CCMSLIB00000847994]","w/o MS2: Capsaicin","w/o MS2:3,8-dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0?,??.0?,??.0?,??]henicosa-2,4(13),6,8,10,14-hexaen-5-one","w/o MS2:Alfentanil","Choline; LC-ESI-QQ; MS2; CE","w/o MS2:N-acetyl-2-phenylethylamine","w/o MS2: CHOLESTANE","w/o MS2:ELAIDIC ACID","w/o MS2:Pyrimethamine","w/o MS2:(2S,3R,4S,5R)-2-(((4S,5aS,7S,11aR,12aS)-4,7-dihydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethylhexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl acetate","w/o MS2:Bottromycin B2","w/o MS2:C11H20N2O3S; PlaSMA ID-1145","w/o MS2:NCGC00179830-03!2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","w/o MS2:Capecitabine (Xeloda)","w/o MS2:Harmol Hydrochloride","1-Dodecyl-2-pyrrolidinone","w/o MS2:Desferrioxamine E","w/o MS2:Diorcinol","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-13-(acetyloxy)-26-(dimethylamino)-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-...","w/o MS2:Triacylglycerol 6:0-16:0-18:1","w/o MS2:[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate","w/o MS2:4'-Methoxychalcone","w/o MS2: Xylose","w/o MS2:22-Hydoxy-2-hopen-1-one","securinine","w/o MS2:(2S,3R,5S,9R)-2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0?,??.0?,?]hexadecane-5-carboxylic acid","w/o MS2:Cholestan-3-One","Baohuoside VII","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-13-(acetyloxy)-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-2-yl cyclohexanecar...","w/o MS2: (1-(5-Fluoropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone","w/o MS2:Bottromycin A2","w/o MS2:Threonylleucine (isomer of 809, 926)","w/o MS2:Asarone","w/o MS2:NCGC00347564-02!(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione [IIN-based on: CCMSLIB00000845126]","w/o MS2:(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","w/o MS2: 4,4'-Dimethoxydalbergione","w/o MS2:[(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate","w/o MS2:NCGC00380876-01_C29H38O14_Methyl 1,4-bis(beta-D-glucopyranosyloxy)-3-(3-methyl-2-buten-1-yl)-2-naphthoate","w/o MS2:NCGC00386086-01![9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetate","w/o MS2:Hippadine","w/o MS2:belladonnine","w/o MS2:Fukugetin","w/o MS2: 2'-O-methyl-Kurarinone","w/o MS2:NCGC00180218-02! [IIN-based on: CCMSLIB00000847631]","w/o MS2:1-Methylguanidine hydrochloride","w/o MS2:GLUCOSE 6-PHOSPHATE","w/o MS2:(R)-1-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy)-1-oxo-3-phenylpropan-2-aminium 2,2,2-trifluoroacetate","w/o MS2:NCGC00384929-01!(2S,3S)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one [IIN-based: Match]","w/o MS2:2-oxo-1,2-dihydro-quinoline-3,4-dicarboxylic acid","w/o MS2:Dieldrin","w/o MS2:L-CARNITINE","w/o MS2:\"(3R,5S,7R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol\"","w/o MS2:1-(pyridin-2-yl)isoquinoline","w/o MS2: Sibiromycin-494 hemiaminal","w/o MS2:NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate","w/o MS2:NCGC00385062-01_C38H56O13_(2S,4R,9beta,16alpha,17xi,23E)-2-(beta-D-Glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate","w/o MS2:Capsaicin","w/o MS2:deferrioxamine E","w/o MS2:3-hydroxy-6-[[(E)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohexanoic acid","w/o MS2:L-METHIONINE","w/o MS2:2-(5-methoxy-1H-indol-3-yl)ethanamine","w/o MS2: Albuterol; LC-ESI-QTOF; MS2; CE","w/o MS2:Pargyline","w/o MS2:Benzylpenicillin","w/o MS2:Bovoside A","w/o MS2:1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate","w/o MS2:Justicidin G","Corynoxeine","w/o MS2: Tolytoxin","w/o MS2: [2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate","w/o MS2:Norclozapine","w/o MS2:6-(2-aminopyrimidin-4-yl)-4-butyl-7-hydroxy-8-methyl-2H-chromen-2-one","w/o MS2:Quercetin 7-rhamnoside","w/o MS2:1,4-bis(p-tolylamino)anthraquinone","w/o MS2:5,7-Dihydroxy-4-methylcoumarin","Aurantioobtusin","w/o MS2:Gomisin D","w/o MS2:methyl (4R,8aS)-1-hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylate","w/o MS2: Pyroglutamic acid","w/o MS2:Gomisin H","w/o MS2:3-(4-((6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)phenoxy)propanenitrile hemioxalate","w/o MS2:4-((9S,13R)-10-((E)-((2,2-dimethoxyethyl)imino)methyl)-3,5,14-trihydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:Acetylcarnitine","w/o MS2: Melophlin D/H/I/J","w/o MS2:Hydroxyxanthommatin","w/o MS2: Gomisin H","w/o MS2:Topiramate","w/o MS2:osas#9","w/o MS2:Glycocholic acid","w/o MS2:Cyanopeptolin 963A","DEOXYCARNITINE","w/o MS2: NCGC00384765-01_C20H32O9_(1beta,2alpha,4xi,5xi,9xi,11alpha,12alpha,13xi,15beta)-1,2,4,11,12,14,15-Heptahydroxypicrasan-16-one","w/o MS2:Sibiromycin hemiaminal","w/o MS2:phosphatidylethanolamine (14:0/15:0)","w/o MS2:Methyl red","w/o MS2:Glycocholate","w/o MS2:3-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2: 2-((2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)ethanol","w/o MS2:NCGC00384881-02_C42H64O18_(3beta,5beta,9xi)-3-{[beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide","w/o MS2:2-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-1H-pyrazol-5-yl)-4-ethyl-5-methoxyphenol","w/o MS2:Pseudojervine","w/o MS2:Stephacidin A_130074","w/o MS2:3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one","w/o MS2:MLS001332637-01!Tiamulin","w/o MS2: cholest-5-en-3-ol","w/o MS2:NCGC00385871-01_C15H22O4_2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.0~1,9~.0~3,7~]tridecan-10-one","w/o MS2:(7,8-dimethoxy-2,2,3-trimethyl-2,3-dihydro-1H-benzo[d]azepin-4-yl)(3-hydroxy-2H-benzo[b][1,4]oxazin-7-yl)methanone","w/o MS2:Naphthalene","w/o MS2: NCGC00380664-01!4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol","w/o MS2:Calycanthine","w/o MS2:caudatin","w/o MS2:ancistrocladine","w/o MS2:Ormetroprim","w/o MS2:Isoxaben","w/o MS2: 2,3-Diaminopropionate","w/o MS2:N-methyl-10-methoxy-16-epi-pericyclivine N-oxide","w/o MS2:6'-methoxy-4,2',4',beta-tetrahydroxy-alpha,beta-dihydrochalcone","w/o MS2:N-Acetylcysteine","w/o MS2:m/z 313 of diterpene esters (collected from 12-deoxyphorbol-13-acetate)","w/o MS2:3,4,5-trimethoxycinnamic acid","w/o MS2:[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3-acetyloxy-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","w/o MS2:Caftaric acid","w/o MS2:1-(2-(cyclohex-1-en-1-yl)ethyl)-5-((3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(4-methoxy-3-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium-3-yl)methyl)phenyl)methyl)-...","w/o MS2:3,15-Diacetyldeoxynivalenol","w/o MS2:Ochrolifuanine A","w/o MS2:Tobramycin, inactivated by phosphorylated 2''","w/o MS2: ISOPALMITIC ACID","w/o MS2:pseudojervine","w/o MS2:Ginsenoside Rg1","w/o MS2:Ginsenoside Rg2","w/o MS2:Inaequalisine_B","w/o MS2:Andrastin D","w/o MS2:Inaequalisine_A","w/o MS2:Kojic Acid","w/o MS2:Atrazine","PHENYLALANINE","w/o MS2:E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene","w/o MS2:6,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran","w/o MS2:Bisoprolol","w/o MS2: angoletin","w/o MS2:[1-(4-methoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate","w/o MS2:N-(1,2,3-trimethoxy-10-((1-(4-(4-methoxyphenyl)piperazin-1-yl)-4-(methylthio)-1-oxobutan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:lenticin","w/o MS2:Drofenine","w/o MS2:Soyasapogenol B base + O-HexA+HexA+dHex","w/o MS2:[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate","w/o MS2:beta-Diphosphopyridine nucleotide, disodium salt, reduced form","w/o MS2:Indolelactic acid","w/o MS2:4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(2-hydroxy-4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-1H-pyrazole-3-carboxylic acid","w/o MS2:NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based on: CCMSLIB00000849091]","w/o MS2:Glucosylgentiopicroside","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2:2-((4R)-4-((3R,5S,7R,8R,9S,12S,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetic acid hydrate","w/o MS2:BIOTIN","w/o MS2:(Z)-6-methoxybenzofuran-3(2H)-one oxime","w/o MS2:2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid","w/o MS2:C15H23N3O; PlaSMA ID-1160","w/o MS2:NCGC00380972-01_C32H45N3O2_","w/o MS2:Rosmic acid","w/o MS2:NCGC00381076-01_C17H23NO7_4-[(2-{[(2-Ethyl-2,3-dihydroxybutanoyl)oxy]methyl}phenyl)amino]-4-oxobutanoic acid","w/o MS2:NCGC00384570-01_C11H19NO6_Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-","w/o MS2:NCGC00380957-01_C26H38O8_1H-Benz[e]indene-6-propanoic acid, dodecahydro-2-hydroxy-7-(1-hydroxy-1-methylethyl)-9b-(methoxycarbonyl)-2,3a,6,9a-tetramethyl-4-methylene-1,3-dioxo-","w/o MS2: MMV020081","w/o MS2: Methoxy-MCA-Albicidin","w/o MS2:Yangambin","w/o MS2:Glycyrrhizate","w/o MS2:NCGC00380462-01!5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","w/o MS2:(7R,8R)-7,8-dihydroxy-3,5,7-trimethyl-8H-isochromen-6-one","w/o MS2:Pesticide5_Cyazofamid_C13H13ClN4O2S_4-Chloro-1-(dimethylaminosulfonyl)-5-(p-tolyl)imidazole-2-carbonitrile","w/o MS2:Ginsenoside Rh1","w/o MS2:Ginsenoside Rh2","w/o MS2:(2S)-4-amino-2-((2R)-2-((2S)-1-(2-(2-aminoacetamido)-4-methylpentanoyl)pyrrolidine-2-carboxamido)-3-mercaptopropanamido)-4-oxobutanoic (tert-butyl carbonic) anhydride","w/o MS2:Ginsenoside Rh4","w/o MS2:Higenamine hydrochloride","w/o MS2: Dihydroergotamine; LC-ESI-QTOF; MS2; CE","w/o MS2:NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based: Match]","w/o MS2:NCGC00385172-01!7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]","w/o MS2: 2-Myristoylglycerol","w/o MS2: Strychnopentamine","w/o MS2:Dihydrozeatin","w/o MS2:3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole","w/o MS2:Cyanidin","w/o MS2:taurolithocholic acid","w/o MS2:5,7-dihydroxy-8-(1-(2-hydroxy-6-methoxyquinolin-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxopropyl)-2-phenyl-4H-chromen-4-one","w/o MS2:(3E,5S,7R,8R,11E,13S,15R,16R)-3,5,7,11,13,15-hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione","w/o MS2:L-Citrulline","w/o MS2:Ginsenoside Rk1","w/o MS2:gamma-Glutamylmethionine","w/o MS2:Leucine conjugated chenodeoxycholic acid putative","w/o MS2:2,6-dihydroxy-3-mesityl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one","w/o MS2:3-((Ethylphenylamino)methyl)benzenesulfonic acid","w/o MS2:naringenin-7-O-glucoside","w/o MS2:austadiol","w/o MS2:NCGC00347760-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate","w/o MS2:\"3,5,7,10,15-O-pentacetyl-14-O-benzoyl-10,18-dihydromyrsinol\"","w/o MS2:allantoin","w/o MS2:NCGC00347703-02_C30H44O5_Lup-20(29)-ene-27,28-dioic acid, 3-oxo-, (5xi,9xi,18xi)-","w/o MS2:Curcumin","w/o MS2:(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol","w/o MS2:3,7,13,17-O-Tetraacetyl-5-O-(2-methylbutyryl)-14-oxopremyrsinol","w/o MS2:Strophanthidinic acid","w/o MS2:N-omega-Acetylhistamine","w/o MS2:2-(3,4-dimethoxyphenyl)-7-methoxy-4H-chromen-4-one","methyl jasmonate","w/o MS2:Dibucaine","w/o MS2:Sorbitol","w/o MS2:C18 Dihydroceramide (d18:0/18:0)","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3-(3,4-dimethoxyphenethyl)-1H-1,2,4-triazol-5-yl)-3-methylpentanamide","w/o MS2:9-hydroxy-9-[[(E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoyl]oxymethyl]-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid","4-Aminophenol; CE10; PLIKAWJENQZMHA-UHFFFAOYSA-N","w/o MS2:ISOPALMITIC ACID","w/o MS2:Proparacaine HCl","w/o MS2:4-Cholesten-3-one","w/o MS2:CREATININE","w/o MS2: MLS002207196-01!Dimethoate60-51-5","w/o MS2:(1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one","w/o MS2:NCGC00385011-01_C27H37NO16_","w/o MS2:Imazapyr","D-(+)-Glucosamine","w/o MS2:14-Benzoyltalatizamine","w/o MS2:NCGC00381134-01!","w/o MS2: 4-Hydroxy-6-methyl-2-pyrone","w/o MS2: Eicosanoids_18-HEPE_C20H30O3","w/o MS2:methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate","w/o MS2:Chymostatinol B","w/o MS2:8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one","w/o MS2:Chymostatinol A","w/o MS2:Cyclo-prolylglycine","w/o MS2:11-aminoundecanoicacid","w/o MS2:4H-cyclopenta[def]phenanthrene-4-one","w/o MS2: Ginsenoside Rf","w/o MS2:N,N'-((7S,7'S)-(hexane-1,6-diylbis(azanediyl))bis(1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-10,7-diyl))diacetamide","w/o MS2:NCGC00384837-01_C19H32O2_14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-5-ol","w/o MS2:NCGC00385674-01!6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one","Glutamic acid","w/o MS2:h_56_dehydrochlormethyltestosterone-m","w/o MS2:NCGC00169702-02!(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847635]","w/o MS2:12-deoxy-5beta-hydroxy-phorbol-13-hexadecanoate","w/o MS2:Pesticide9_Mexacarbate_C12H18N2O2_4-(Dimethylamino)-3,5-dimethylphenyl methylcarbamate","w/o MS2:6,7-Dihydrotabersonine","w/o MS2:(E,2S,3R,4R,5S)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid","w/o MS2:Soyasaponin I","w/o MS2:Oxaline","w/o MS2:NCGC00380757-01_C22H28O13_3-[6-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl}oxy)-1-benzofuran-5-yl]propanoic acid","w/o MS2: Piperazine","w/o MS2:Polygalacic acid","w/o MS2:Thermoactinoamide_F","w/o MS2: Quinidine","w/o MS2:Thermoactinoamide_J","w/o MS2:NCGC00385184-01_C32H36N2O5_chaetoglobin A","w/o MS2:Thermoactinoamide_G","w/o MS2:2-(N-butylformamido)-N-cyclohexylbutanamide","w/o MS2:NCGC00016418-16!9-methoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]","w/o MS2:NCGC00384746-01!6-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000846392]","w/o MS2:2,4-dihydroxy-5-methoxy-1'',6'',8''-trimethyldispiro[bis(oxolane)-3,2':5',7''-[3]oxatricyclo[6.3.1.0?,??]dodecane]-2''-one","w/o MS2:Tobramycin, N-propionyl derivative likely","w/o MS2:Di-n-butyl phosphate","w/o MS2:NCGC00169011-03_C23H31NO4_Spiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-6(3H)-one, 3',4',4'a,5',6',7,7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-, (2R,2'R,6'R,8a'S)-","w/o MS2:Harpagide","Dioctyl Phthalate","w/o MS2:Vindesine","w/o MS2:Tanshinone Iia","w/o MS2:Proline","w/o MS2: 6-Shogaol","w/o MS2:FruLeuIle","w/o MS2: 6,7-Dihydroxycoumarin;esculetin","w/o MS2:NCGC00385437-01!5-undecylbenzene-1,3-diol","w/o MS2:N-(4-((6aR,8aS)-4-hydroxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-yl)-2-methylbutyl)acetamide","w/o MS2:4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol","w/o MS2:CYS-GLY","w/o MS2:[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate","w/o MS2:Isosungucine","w/o MS2:N-Methylanthranilic acid","w/o MS2:2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one","w/o MS2:COTININE","w/o MS2: MMV023985","w/o MS2:Irgarol","w/o MS2:13-(2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxoethyl)-7,8-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one","w/o MS2:NCGC00385024-01!2,3,4-trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [IIN-based on: CCMSLIB00000845523]","w/o MS2:Plipastatin","w/o MS2:Picoxystrobin","w/o MS2:NCGC00179770-02!","Mono-iso-butyl phthalate","w/o MS2: N-(3-Methoxybenzyl)oleamide","w/o MS2:RIBOFLAVIN","w/o MS2:9-(2,3-dihydroxypropoxy)-9-oxononanoic acid","w/o MS2:NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","w/o MS2:?-Gentiobiose","w/o MS2:\"Cycloart-23-ene-3_, 25 diol\"","w/o MS2:Incensole","w/o MS2:Carylophyllene Oxide","w/o MS2:Papaverine","w/o MS2:N-Acetylindole","w/o MS2:Pesticide9_Pencycuron (Monceren) _C19H21ClN2O_","w/o MS2:2,4-dihydroxyheptadec-16-ynyl acetate","w/o MS2:(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid","w/o MS2:vasicinone","w/o MS2:Ferri neocoprogen I [M+Fe-2H]","w/o MS2: PF-1052_130138","w/o MS2: Indoline","w/o MS2:2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol","w/o MS2:[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate","w/o MS2: NCGC00380117-01_C27H41NO4_(7E)-3-Isobutyl-4,5,8,12,12-pentamethyl-3,3a,4,6a,9,10,10a,13a,14,15-decahydro-1H-[1,3]dioxolo[7,8]cycloundeca[1,2-d]isoindole-1,16(2H)-dione","w/o MS2:Paclitaxel","w/o MS2:7-alpha-hydroxy-4-cholesten-3-one","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","w/o MS2:NCGC00380212-01![3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate","w/o MS2:\"(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-((R)-5-(oxetan-3-yl)pentan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diyl diacetate\"","w/o MS2:Cevadine","w/o MS2: N-Methylparoxetine","C18H29NO3; PlaSMA ID-1616","w/o MS2:all-trans-Retinoic acid","w/o MS2:Mitragynine","w/o MS2:3',5'-Cyclic AMP","w/o MS2:BE-43547B","w/o MS2:2,20-dihydroxy-13-methoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0?,??.0?,??.0?,??.0?,??]tricosa-6(14),7,12-trien-11-one","w/o MS2:BE-43547C","w/o MS2:6-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-1H-pyrazol-5-yl)-2,3-dihydrobenzo[b][1,4]dioxin-5-ol","w/o MS2: hyocholic acid","w/o MS2:BE-43547A","w/o MS2:methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate","w/o MS2: Pesticide1_Monocrotophos_C7H14NO5P_Dimethyl (2E)-4-(methylamino)-4-oxo-2-buten-2-yl phosphate","w/o MS2:6-[(3E,6E)-2,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one","(2R,4S)-6-(((2R,4S)-4-hydroxy-6-(((2R,4S,6R)-4-hydroxy-6-(((10S,13R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)o...","gamma-Glutamyl-cysteine","w/o MS2:NCGC00180641-02_C30H46O8_Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-, (3beta,5beta,8xi,9xi,17alpha)-","w/o MS2:Erianin","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(4-(5-(methoxymethyl)-1H-1,2,4-triazol-3-yl)phenyl)-3-methylpentanamide","w/o MS2:Edpetiline","w/o MS2: NCGC00169274-03_C22H26O7_6(2H)-Benzofuranone, 3,3a,4,5-tetrahydro-5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-(2-propen-1-yl)-, (2R,3R,3aR,5R)-","w/o MS2:3,7-Epoxycaryophyllan-6-One","Gly-Leu","w/o MS2:Methylxanthoxylin","w/o MS2:(1R,4S,5R,9R,10R,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0?,??.0?,?]hexadecane-5-carboxylic acid","Demethoxycentaureidin 7-O-rutinoside","w/o MS2:Perfluorodecyl phosphate","w/o MS2:Rhetsinine","w/o MS2:NCGC00385993-01!6-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one [IIN-based: Match]","w/o MS2:Donepezil","w/o MS2:\"2-((4R)-4-((3R,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-methylpentanamido)ethane-1-sulfonic acid\"","w/o MS2: (3R)-4,4-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one","w/o MS2:5-VALEROLACTONE","w/o MS2:Dimethenamid-OXA","w/o MS2: Glyceryl trioctanoate","w/o MS2:Pesticide3_Fluometuron_C10H11F3N2O_Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]-","w/o MS2:N-((S)-10-(((S)-1-(6-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-3-methyl-1-oxobutan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","alpha-oxo-1h-indole-3-propanoic acid","w/o MS2: MLS001142727-01!","w/o MS2:Schinifoline","w/o MS2: NCGC00169456-02_C21H38O10_(1R,2R,4aS,5S,8S,8aR)-5,8-Dihydroxy-4a-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-8-methyldecahydro-1-naphthalenyl beta-D-glucopyranoside","w/o MS2:NCGC00385107-01_C23H32O9_Cyclohexaneacetic acid, 6-[4-(acetyloxy)-3-hydroxy-2-methylene-1-oxobutoxy]-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester","w/o MS2:h_31_mesterolone","w/o MS2:taurodeoxycholic acid","w/o MS2:Chrysanthemic Acid","(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid","w/o MS2: 5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one","w/o MS2:NCGC00381286-01_C24H26N2O6_Acetamide, N-[(Z)-2-(acetylamino)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethenyl]-N-(2-oxo-3-phenylpropyl)-","w/o MS2:\"N-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)-N-methylglycine\"","w/o MS2:(2S)-3-(4-hydroxyphenyl)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid","w/o MS2:Indole-3-carbinol","w/o MS2:NCGC00380298-01!1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000848242]","w/o MS2:h_127_1_androstenediol","w/o MS2:5-(3-methoxyphenyl)-N-((octahydro-1H-quinolizin-1-yl)methyl)-1H-pyrazole-3-carboxamide","w/o MS2:(3S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-((4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetate","w/o MS2:D-SACCHARIC ACID","w/o MS2:deltaline","w/o MS2:Norfluoxetine","w/o MS2:Hexaethylene glycol","w/o MS2:NCGC00380822-01!1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one [IIN-based: Match]","w/o MS2:NCGC00380960-01_C30H50O6_13,17,24,25-Tetrahydroxy-16,23-epoxydammaran-3-one","w/o MS2: LID_251.1754_11.0","w/o MS2:5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one","w/o MS2:Sparfloxacin","w/o MS2:Demethylwedelolactone","w/o MS2:(3R,7R,8R,8aS)-3,4'-dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-6'-one","w/o MS2:methyl 8-hydroxy-4,5,7,10,14,14-hexamethyl-6,17-dioxo-16-oxapentacyclo[13.2.2.0?,??.0?,??.0?,?]nonadeca-3,7-diene-9-carboxylate","w/o MS2:(10S,13R)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-1H-cyclopenta[a]phenan...","w/o MS2:5,6-Dihydrouracil","w/o MS2: N-dodecanoyl-S-homoserine lactone","w/o MS2:NCGC00180841-02!(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]","w/o MS2:NCGC00380723-01!(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00380964-01_C14H21N3O4_1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate","w/o MS2:Histamine-trifluoromethyltoluide","w/o MS2:NCGC00386076-01_C19H33N3O5_2,8-Diisobutyl-5-methyl-1-oxa-4,7,10-triazacyclotetradecane-3,6,9,14-tetrone","w/o MS2: Ophiopogonoside A","w/o MS2:Xanthosine (not validated)","w/o MS2:NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid","w/o MS2:(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid","lapidin","w/o MS2:NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid [IIN-based: Match]","w/o MS2:CYSTINE","w/o MS2:Carmaphycin A","w/o MS2:Carmaphycin B","w/o MS2:1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one","w/o MS2:NCGC00180346-02_C22H25N5O2_3-(1H-Imidazol-4-ylmethyl)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione","w/o MS2: (E)-2-(hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid","w/o MS2:NCGC00385565-01_C41H60O16_1-O-{[(4aS,6aS,6bR,9R,10S,11S,12aR)-9-Formyl-10-(beta-D-glucopyranuronosyloxy)-11-hydroxy-6a,6b,9,12a-tetramethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenyl]carbonyl}-beta-D-glucopyranose","w/o MS2:Cyanazine","w/o MS2:Iopromide","w/o MS2:Metazachlor-OXA","w/o MS2:Acitretin","w/o MS2:Scopularide D","w/o MS2:Scopularide E","6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid","w/o MS2: Varenicline tartrate","w/o MS2:Dicarboxyl-2But-A6EO4","w/o MS2:Mefenamic acid","w/o MS2:Willardiine","w/o MS2: Palmitic Acid","w/o MS2:Tembotrione","w/o MS2:PK 11195","w/o MS2:linderalactone","w/o MS2:NCGC00380178-01!6-[[8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid","w/o MS2:4,5-Dicaffeoylquinic acids","w/o MS2:KOBUSONE","w/o MS2:NCGC00384828-01!","w/o MS2:MMV690102","w/o MS2: Feruloyl putrescine (isomer of 1178); PlaSMA ID-1173","w/o MS2:NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid [IIN-based: Match]","w/o MS2: Ziyuglycoside II","w/o MS2:MMV690103","w/o MS2:4,7-Phenanthroline","w/o MS2:Fluorene","w/o MS2:Naproanilide","w/o MS2:Trans-Zeatin-riboside-O-glucoside","w/o MS2:Velvione","w/o MS2:Butenyl glucosinolate","w/o MS2:NCGC00380497-01_C27H36O6_1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-7-hydroxy-5-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-","w/o MS2:Desferrirubin","w/o MS2:Luteone 4',7-O-diglucoside","w/o MS2:2-acetoxy-6-pentadecylbenzoic acid","w/o MS2:reticulol","w/o MS2:NCGC00385408-01_C17H17N5O2_3-(1H-Imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione","w/o MS2:NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate","w/o MS2: NCGC00179770-02!","w/o MS2:Cycloveratrylene","w/o MS2:1-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-hydroxy-2-methyl-4-oxo-6-propyl-4H-chromen-8-yl)-N,N-dimethylmethanaminium chloride","w/o MS2:Imazapic","w/o MS2:(2S,3R,4S,5R)-2-(((6aR,7aS,9aR,10R,12R,13S,14aR,15aS)-1-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethyloctadecahydro-1H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2:5-Hydroxy-3-indoleacetic acid","w/o MS2:NCGC00385245-01!(2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide [IIN-based on: CCMSLIB00000848860]","Cucurbitacin B","w/o MS2:NCGC00381318-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000845116]","w/o MS2:norlichexanthone","w/o MS2:NCGC00385164-01!5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000849030]","w/o MS2:NCGC00380613-01_C41H52N8O9_Cyclo[glycylprolyltryptophylglycyl-beta-hydroxy-3-(3-methyl-2-buten-1-yl)tyrosylglycylvalyl]","w/o MS2:C18H34N2O8; PlaSMA ID-2211","w/o MS2:Euphorbia factor L8 - Lathyrane diterpenoid - likely","w/o MS2:Pirimiphos-methyl","w/o MS2:Dicoumaroyl Spermidine","w/o MS2:Atropine","w/o MS2:forskolin","w/o MS2:Atalaphylline","w/o MS2:\"25-Acetoxy-3b-hydroxy-20(S),24(R)-epoxydammarane\"","w/o MS2:NCGC00380620-01_C21H24O11_(3R,3'R,4R,6'S,7R)-5-Hydroxy-6',7-dimethyl-6,8-dioxo-3',4,4',5',6,6',7,8-octahydrospiro[isochromene-3,2'-pyran]-3',4,7-triyl triacetate","w/o MS2:Kasugamycin","w/o MS2:Guanosine-5'-triphosphate sodium salt","w/o MS2:Lenalidomide","w/o MS2:4-((10S,13R)-3-(((2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:(Z)-2-(furan-2-ylmethylene)-9-(pyridin-3-yl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate","w/o MS2:2-(3,4-dihydroxyphenyl)ethyl (1S,4aR,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","w/o MS2: Bufalin","w/o MS2:3,4-Dimethoxybenzoic acid;Veratric acid","w/o MS2:Isoxanthohumol","w/o MS2:C36H55NO13; PlaSMA ID-3195","w/o MS2:NCGC00347503-03_C22H38O8_Spiro[naphthalene-1(2H),2'-oxirane]-2,3-diol, octahydro-5,6,8a-trimethyl-5-[2-(tetrahydro-3,4-dihydroxy-2,5-dimethoxy-3-furanyl)ethyl]-","w/o MS2:2-(4-chlorophenyl)-7-methoxy-2',2'-dimethyl-1,2',3',5',6',10b-hexahydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-pyran]","w/o MS2:Cholesterol","w/o MS2:Ebselen","w/o MS2:moandaensine C","w/o MS2:NCGC00385558-01!(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-oct-1-en-3-yloxyoxane-3,4,5-triol","w/o MS2:8-Hydroxy-13,14,15,16-tetranor-12-labdanoic acid","w/o MS2:Enterobactin [M-3H+Fe+Na]","w/o MS2:AZELATE","w/o MS2:Oseltamivir acid","w/o MS2:Ophiogenin 3-O-beta-L-rhamnopyranosyl(1??????2)[beta-D-xylopyranosyl(1??????3)]-beta-D-glucopyranoside","w/o MS2:[(1R,5S,6S)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate","w/o MS2:TRIDESACETOXYKHIVORIN","w/o MS2: (4aR,5S,6S,8R,8aS)-6-hydroxy-3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one","w/o MS2: vitamin K1","w/o MS2:NCGC00178802-07!N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide","w/o MS2:NCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acid","w/o MS2:[(4R,4aR,5S,6aS,6bR,10S,12aR)-10-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] benzoate","w/o MS2:h_174_fluoxymesterone_m2","w/o MS2: LPC 18:2; PlaSMA ID-2753","w/o MS2:12-deoxyphorbol-13-acetate (prostratin)","w/o MS2:Cyclocytidine","w/o MS2:Cinobufagin","w/o MS2: GLYCEROL","w/o MS2: NCGC00179986-02!2-[[4-[2-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid","w/o MS2:6-o-(4-hydroxybenzoyl)-6-epiaucubin","w/o MS2:Emetine","w/o MS2:kinetin riboside","w/o MS2:Conessine","w/o MS2:MMV084603","w/o MS2:NCGC00385251-01!(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000847604]","w/o MS2:Moroidin-[QLLVWRGGH]","(2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(7-methoxyquinolin-3-yl)-3-methylpentanamide","w/o MS2: brevicarine","w/o MS2:SPHINGOMYELIN","w/o MS2:NCGC00347542-02!4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol [IIN-based on: CCMSLIB00000848919]","w/o MS2:[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate","w/o MS2:6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione","w/o MS2:\"(E)-methyl 11-(5-carbamoyl-4-oxo-1,4-dihydropyridin-2-yl)undec-10-enoate_120104\"","w/o MS2:(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide","w/o MS2:NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based: Match]","w/o MS2: D-(+)-Cellotriose","w/o MS2:D(-)-Gulono-gamma-lactone","w/o MS2:ilicic acid","w/o MS2:[6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate","w/o MS2:Aleuretic Acid","(9S,18R,21R)-15-benzyl-6-(4-((tert-butoxycarbonyl)oxy)benzyl)-21-(3-guanidinopropyl)-18-isobutyl-2,2,9-trimethyl-4,7,10,13,16,19-hexaoxo-3-oxa-5,8,11,14,17,20-hexaazadocosan-22-oic acid","w/o MS2:taxifolin","w/o MS2:Planaic acid","w/o MS2: 2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid","w/o MS2:3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one","w/o MS2:Cytarabine","w/o MS2:Ranaconitine","w/o MS2:Hispaglabridin B","w/o MS2:NCGC00347635-02![5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate","w/o MS2:Lyngbyatoxin A M+H-CO putative or close isomer","2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3-(3,4-dimethoxyphenethyl)-1H-1,2,4-triazol-5-yl)-3-methylpentanamide","w/o MS2:NCGC00385150-01_C42H44O13_(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-Diacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,8-triyl tribenzoate","w/o MS2:Hyodeoxycholic acid","O-Acetyl-L-homoserine","w/o MS2:Lapatinib","w/o MS2:Glyceryl linolenate","w/o MS2:12-(3,4-diethoxyphenyl)-2,3-diethoxy-10-(prop-2-yn-1-yloxy)-5,6-dihydroindolo[2,1-a]isoquinoline","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(2-ethylphenyl)amino]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl...","w/o MS2:(1R,4R,7S,11E,15S,19R,20R,21S,22S,24R)-7,20,21,22,24-pentahydroxy-11,15-dimethyl-3,5,9,18,23-pentaoxatricyclo[17.3.1.1?,?]tetracos-11-en-10-one","w/o MS2:\"methyl (4R)-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate\"","w/o MS2:NCGC00381263-01_C31H40O7_3,9-Diacetoxy-2,6,6,13-tetramethyl-12-oxotetracyclo[11.2.1.0~1,10~.0~2,7~]hexadec-8-yl benzoate","w/o MS2:Valine conjugated chenodeoxycholic acid","w/o MS2:\"(2S,3S,4S,5R,6R)-6-(((3R,5R,7S,8R,9S,10S,13R,14S,17R)-17-((R)-1-carboxypropan-2-yl)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid\"","w/o MS2: Sarcinaxanthin; FAB-EBEB; MS2; m/z","w/o MS2:NCGC00385154-02!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one","w/o MS2:Stanozolol","w/o MS2:(3S,6S,6aR,7R,7aR,8S,9R,10S,11aR,12R,13S,14R)-1-ethyl-3-(hydroxymethyl)-6,8,10,13-tetramethoxytetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-11a,12-diol","w/o MS2:colchicine","w/o MS2:NCGC00380135-01!(3aS,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione [IIN-based: Match]","w/o MS2:Quercetin-3-Glucuronide","w/o MS2:NCGC00180444-02!(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol","w/o MS2:NCGC00381206-01_C40H60O10_1-Naphthalenebutanoic acid, decahydro-beta,6-dihydroxy-alpha-(2-hydroxyethylidene)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-, (4E)-4-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]tetrahydro-5-oxo-3-furanyl ester, (alphaE,1R,4aS,5R,6R,8aS)-","w/o MS2:Aerucyclamide A","w/o MS2: Chlormezanone (Trancopal)","w/o MS2:Aerucyclamide B","w/o MS2:NCGC00381134-01! [IIN-based on: CCMSLIB00000846922]","w/o MS2:L-Saccharopine","w/o MS2:NCGC00169469-03_C20H34O3_1-Naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylene-, (1R,4aS,5R,8aS)-","w/o MS2:1-[8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone","w/o MS2:NCGC00091920-03_C17H24O4_2-Propenoic acid, 3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-","w/o MS2: NCGC00385866-02_C11H19NO6_3-(beta-D-Glucopyranosyloxy)-2-methylbutanenitrile","w/o MS2:Murolic acid","w/o MS2:(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0?,?.0?,?.0??,??]nonadec-18-en-13-ol","w/o MS2:\"(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","w/o MS2:methyl (2R)-2-[(1S,3S,7R,8R,9R,12S,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0?,??.0?,?]heptadecan-7-yl]-2-hydroxyacetate","w/o MS2:NCGC00380958-01!2-[[2-[2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoic acid [IIN-based on: CCMSLIB00000846757]","w/o MS2:Tetradecanoyl-L-Carnitine","w/o MS2:Dobutamine","w/o MS2:Aspidocarpine","w/o MS2:Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucopyranoside)","w/o MS2:(S)-3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl 2-(6-((tert-butoxycarbonyl)amino)hexanamido)-3-phenylpropanoate","w/o MS2:Pulvinic acid dilactone","w/o MS2:NCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid [IIN-based on: CCMSLIB00000846988]","w/o MS2:Flunitrazepam","w/o MS2: 1-isopropyl-1,2,3,4,-tetrahydro-beta-carboline-3-carboxylic acid","w/o MS2:isosarcophine","w/o MS2: methyl 4-((10R,13R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate","Dihydroergotamine","w/o MS2:Terbuthylazine-TP MT24 (LM1)","w/o MS2:NCGC00384548-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]","w/o MS2: 5-acetamido-2-(acetoxymethyl)-6-((4-cyclopentyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)tetrahydro-2H-pyran-3,4-diyl diacetate","w/o MS2:NCGC00381310-01!(2S,3S,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","w/o MS2:(1R,2R,4aS,8aS)-1-((S)-3-hydroxy-3-methylpentyl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol","w/o MS2:[(3aR,4R,5R,6E,9Z,11aR)-4-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-5-yl] (Z)-2-methylbut-2-enoate","w/o MS2:NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate","w/o MS2:[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aS,6bR,8R,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2:(2S,3aR,5aR,6aR,7S,8R,9R,10S,10bR)-3a-methyl-12-methylenedodecahydro-1H-5,7,10b-(epimethanetriyl)-6a,9-ethanodibenzo[cd,f]indole-2,8,10-triol hydrochloride","w/o MS2:NCGC00386087-01_C43H60N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(3S,4R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide","w/o MS2:Secopenitrem D_120253","w/o MS2:3-Methyl-N-phenylaniline","w/o MS2:Clofibric acid","w/o MS2: Nerylacetate","w/o MS2: Arctiin","w/o MS2: Moroidin-[QLLVWRSH]","w/o MS2:Pesticide2_Benfuracarb_C20H30N2O5S_Oncol","w/o MS2:CHENODIOL","w/o MS2:NCGC00386007-01_C33H48O10_(2alpha,5alpha,9alpha,10beta,14beta)-2,5,9,10-Tetraacetoxytaxa-4(20),11-dien-14-yl 2-methylbutanoate","w/o MS2:Pramiracetam","w/o MS2:\"2a-Acetoxy-3,22-stictandione\"","Carbetamide","w/o MS2:destruxin A","w/o MS2:NCGC00384853-01_C39H62O16_20-Oxopregn-16-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside","w/o MS2:Amychelin","w/o MS2:3,29-O-Dibenzoylmultiflor-8-en-3-alpha,7beta,29-triol","w/o MS2:NCGC00381009-01_C24H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S,4aR,7aR)-","w/o MS2:HYDROCORTISONE","w/o MS2:NCGC00169118-03![(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate [IIN-based on: CCMSLIB00000848748]","w/o MS2:Mianserin-N-Oxide","w/o MS2:Tobramycin 2 -N- or 6 -N-formyl","w/o MS2:Nevaltophin_D","w/o MS2:Retapamulin","NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE","w/o MS2:NCGC00381053-01_C31H44O12_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-","w/o MS2:MMV019087","w/o MS2:Procaine","w/o MS2:NCGC00380635-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000846280]","w/o MS2:[(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate","w/o MS2: 1-(9-hydroxy-2-isobutyl-10-(3-(pyridin-3-ylmethoxy)phenyl)pyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(2H,7H,10H)-yl)ethanone","w/o MS2:arthrobactin","w/o MS2:(2E,4E)-12-[(10E,12E)-13-carboxy-3-hydroxy-2-(hydroxymethyl)-8,10,12-trimethyltrideca-10,12-dienoyl]oxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid","w/o MS2: (4R,6aS,8aS)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl butyrate","w/o MS2:Ilicicolin A","AAL toxin TB","w/o MS2:(2S,3S,4R,5R,6S)-2-(((6aR,7aS,10R,14aS)-12-hydroxy-3,3,9a,10,14a-pentamethyl-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)octadecahydro-1H-cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","beta-Nicotinamide adenine dinucleotide","w/o MS2:NCGC00380344-01!(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide [IIN-based on: CCMSLIB00000846683]","w/o MS2:5Alpha-Cholestan-3Beta-Ol-6-One","w/o MS2:FARNESOL","Gly-Ile","w/o MS2:Dendrophenol","w/o MS2:Diacetoxyscirpenol","w/o MS2:L-Aspartic acid","NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate","w/o MS2:(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.0?,?.0?,??.0??,??]hexadec-8-en-14-yl dodecanoate","w/o MS2:Gitogenin","w/o MS2:Prochloraz","w/o MS2:NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate [IIN-based on: CCMSLIB00000848789]","w/o MS2:3-(2-fluorophenyl)-10-(2-hydroxy-6-methoxyquinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione","w/o MS2:NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based on: CCMSLIB00000847807]","w/o MS2:N-Nitrosopiperazine (NPAZ)","w/o MS2:Gedunol","w/o MS2:Liensinine Diperchlorate","w/o MS2:Ginkgolic Acid C13-0","w/o MS2:Pentadecanoyl Ethanolamide","w/o MS2:Pristimerin","w/o MS2:Scillitazettine","w/o MS2:Tjipanazole B","w/o MS2:NCGC00381105-01_C15H24O4_2-(4,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid","w/o MS2:NCGC00384949-01!2-(hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol","w/o MS2:Antibiotic TAN 1169B","w/o MS2:Phosphatidylethanolamine (16:1/18:0) Abbr: PoSPE","w/o MS2:Neosolaniol","w/o MS2:vitamine a acetate","w/o MS2:NCGC00380864-01!7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","w/o MS2:NCGC00380119-01!3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one","w/o MS2:S4:19(P3:17/F1:2)","w/o MS2:5-hydroxy-7-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethoxy)-2-phenyl-4H-chromen-4-one","w/o MS2: 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate","w/o MS2:octacosane","w/o MS2:NCGC00384694-01_C19H36O11_beta-D-Glucopyranoside, 3-ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:NCGC00347453-02!(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one [IIN-based on: CCMSLIB00000848120]","w/o MS2:Ambrisentan","w/o MS2:1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine","w/o MS2:taurochenodeoxycholic acid","w/o MS2:Ramipril","w/o MS2: (2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide","w/o MS2:N-(2-(2-(2-hydroxy-5-oxo-4,5-dihydro-3H-benzo[e][1,4]diazepin-3-yl)acetamido)ethyl)-1-methyl-1H-indole-2-carboxamide","NCGC00381375-01!(6E)-heptadeca-6,16-diene-1,2,4-triol [IIN-based on: CCMSLIB00000846358]","methyl 2-(2-amino-4-hydroxy-6-methylpyrimidin-5-yl)acetate","w/o MS2: 5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol","w/o MS2:NCGC00384924-01!5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one","w/o MS2:NCGC00380363-01!8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848735]","w/o MS2:L-Arachidonoylcarnitine","w/o MS2:12-O-[deca-2Z,4E,6E-trienoyl]-13-isobutyroyloxy-4-deoxyphorbol","w/o MS2: (E)-10,10-dimethyl-10a-(3-(pentyloxy)styryl)-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2-ol","w/o MS2:Bensulide","w/o MS2:NCGC00380617-01_C16H26O4_1-Oxaspiro[2.5]octan-6-ol, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (3R,4S,5S,6R)-","w/o MS2:Perondroprilat","w/o MS2:Solasodiene (not validated)","w/o MS2:astragaloside IV","w/o MS2:zearalenone","w/o MS2:(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Pelargonidin 3-arabinoside","w/o MS2:\"Rifampin (Rifadin, Rimactane)\"","3-Deoxo-3Beta-Acetoxydeoxydihydrogedunin","w/o MS2:N-butyl-N-(1-(cyclohexylamino)-1-oxobutan-2-yl)pentanamide","w/o MS2:Tobramycin [2M+H]","Butyryl carnitine (isomer of 920); PlaSMA ID-919","w/o MS2:Violacein; 3-(1,2-dihydro-5-(5-hydroxy-1H-indole-3-yl)-2-oxo-3H-pyrrol-3-ylidene)-1,3-dihydro-2H-indole-2-one","w/o MS2:6-(gamma,gamma-Dimethylallylamino)purine riboside","w/o MS2: 4-Coumaroylcholine; LC-ESI-QTOF; MS2; CE","w/o MS2:3-dihydro-7,8-dehydrodiscorhabdin C (+2)","w/o MS2:3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","w/o MS2:Tricresylphosphate","(12bS)-7-(4-ethylphenyl)-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7-tetrahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4(12H,12bH)-dione","w/o MS2:Asiaticoside","w/o MS2:Reynoutrin","w/o MS2:NCGC00384869-01!4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based on: CCMSLIB00000846960]","w/o MS2:NCGC00385023-01_C36H58O9_(1S,7S,9beta,23E)-9-Formyl-1,25-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl beta-D-glucopyranoside","w/o MS2: Ginkgolic Acid C15-1","w/o MS2:Dyphylline","w/o MS2:NCGC00380344-01!(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide","w/o MS2:Picfeltarraenin X","w/o MS2:Gly-Gly","w/o MS2:Herniarin","w/o MS2:Docetaxel","Biflorin","w/o MS2:retronecine","w/o MS2:Bakuchiol","w/o MS2:Tanshinone IIA","w/o MS2: Mycophenolate mofetil (CellCept)","w/o MS2:Leucylleucyltyrosine","w/o MS2:Phloroglucinol","w/o MS2:NCGC00347591-02_C50H64O14_","w/o MS2:Vinpocetine","w/o MS2: MMV020120","w/o MS2:(S)-6-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3-isopentyl-4-oxo-3,4-dihydroquinazolin-6-yl)hexanamide","w/o MS2:7-propyltheophylline","w/o MS2:NCGC00386085-01_C32H44O10_","w/o MS2:N-Allyladenosine","w/o MS2: NCGC00380560-01_C26H32O9_Oxireno[4',5']pyrano[4',3':5,6]naphth[2,1-c]oxepin-3,10,12(1H,4H,10aH)-trione, 8-(3-furanyl)decahydro-5,6-dihydroxy-1,1,5a,7a,11b-pentamethyl-","w/o MS2:CI-1029","Asp-Phe","w/o MS2: N,N-Diethyl-2,4-dimethoxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE","w/o MS2:BIBR-1048 (Dabigatran)","w/o MS2: Phytosphingosine (not validated, isomer of 1696); PlaSMA ID-1697","w/o MS2:CAPREOMYCIN SULFATE","w/o MS2:8-Gingerol","w/o MS2:PCB 138","w/o MS2: Arenobufagin","w/o MS2: 2-Naphthalenamine, N-phenyl-","w/o MS2:\"NCGC00160317-01!8-(3,4-Dimethoxy-phenyl)-2,3,10,11-tetramethoxy-5,6,13a-tridehydro-berbinium\"","w/o MS2:(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one","w/o MS2:L-ARGININE","w/o MS2:Perindopril Erbumine (Aceon)","w/o MS2: Cyclocrassostreaxanthin A; FAB-EBEB; MS2; m/z","w/o MS2:Ergosta-4,22-dien-3-one","w/o MS2:1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone","w/o MS2:NCGC00381010-01!5-[(3S,8R,10R,13R,14S,17R)-3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one","w/o MS2:NCGC00380713-01_C21H35NO6S_Cysteine, S-[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxooxacyclotetradeca-6,9-dien-4-yl]-","w/o MS2:Hymenamide C","w/o MS2:NCGC00095966-03!4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000849060]","w/o MS2:Liensinine","w/o MS2:\"(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","[(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate","w/o MS2:Jamaicamide B","w/o MS2:Jamaicamide C","w/o MS2: (8Z,8'Z)-8,8'-bis(((2,5-dimethoxyphenyl)amino)methylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione","w/o MS2:Baohuoside I","w/o MS2:Tembetarine","w/o MS2:Alpha-collatolic acid","(2S,3R,4S,5R)-2-{[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0?,??.0?,??.0?,??.0?,??.0??,??]tetracos-4-en-9-yl]oxy}oxane-3,4,5-triol","w/o MS2:4-({5-[5-hydroxy-3-({[(2Z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acid","w/o MS2: 3-[(3R,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2:Altretamine (Hexalen)","(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-26-[4-(pyridin-2-yl)piperazin-1-yl]-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-hep...","w/o MS2:Paleatin A","w/o MS2:2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic aci","w/o MS2:Amcinonide","w/o MS2:Taxayuntin E","w/o MS2:(Z)-methyl 4-((9-(furan-2-yl)-3,7-dioxo-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromen-2-ylidene)methyl)benzoate","w/o MS2:NCGC00380717-01_C27H36O7_2-Butenoic acid, 2-methyl-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-","w/o MS2:Kaempferol-3-Glucuronide","w/o MS2:4-(Dimethylamino)phenylthiocyanate","w/o MS2: 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","w/o MS2:NCGC00015878-08_C21H26N2O3_Methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate","w/o MS2:Phenylhydrazine","w/o MS2:7-alpha-hydroxy cholesterol","w/o MS2:Columbamide C","w/o MS2:Azithromycin","w/o MS2:NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based: Match]","w/o MS2: Neoruscogenin","w/o MS2:NCGC00385270-01_C20H28O4_5-[2-(3-Furyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid","w/o MS2:Triacylglycerol 17:1-18:2-18:2","w/o MS2:4-Coumaric acid","w/o MS2:4-methoxy-9H-xanthen-9-one","w/o MS2: (+)Catechin","w/o MS2:Dereplicator Identification - Schizopeptin_791","w/o MS2:11b-hydroxypristimerin","w/o MS2:Pesticide4_Methoxyfenozide_C22H28N2O3_N'-(3,5-Dimethylbenzoyl)-3-methoxy-2-methyl-N'-(2-methyl-2-propanyl)benzohydrazide","w/o MS2:(S)-4-methyl-2-(1H-pyrrol-1-yl)pentanoic acid","w/o MS2:MMV689061","w/o MS2:NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000846659]","w/o MS2:Olanzapine","w/o MS2:MLS001076098-01!","w/o MS2:NCGC00380917-01!5,7-dihydroxy-2-(2-methylpropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","w/o MS2: NCGC00385056-01_C23H32O8_Propanoic acid, 2-methyl-, [(4S)-4-(acetyloxy)-5-[4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-3-methylene-2-oxo-6-benzofuranyl]methyl ester","w/o MS2:Bisphenol A","w/o MS2:MLS001074187-01!57-83-0","w/o MS2:Neferine","w/o MS2:Tetrahydropapaveroline","w/o MS2:1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid","w/o MS2:NCGC00384919-01_C19H26O3S_2-Propenoic acid, 3-(methylthio)-, (1R,2R,8aR)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester, (2E)-","w/o MS2:NCGC00380403-01_C19H23N3O4_2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 6-acetyl-6,10b,11,11a-tetrahydro-10b-hydroxy-3-(2-methylpropyl)-","w/o MS2:gelsemine","w/o MS2:Lusitanicoside","w/o MS2:3,4-Dehydroxy-3'-deoxycapsanthin","w/o MS2:INDOLE-3-PYRUVIC ACID","w/o MS2:Ambocin","w/o MS2:Pantothenic acid","w/o MS2:Leptosin C_130038","w/o MS2: Soyasapogenol A","w/o MS2: Thymol","w/o MS2:2-Amino-6-methoxybenzothiazole","w/o MS2: Soyasapogenol B","N-((S)-1,2,3-trimethoxy-10-(((S)-3-methyl-1-oxo-1-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)butan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:Valactamide A putative","w/o MS2:Prolylyphenylalanine","w/o MS2:afzelin","w/o MS2:Columbamide B","w/o MS2:Columbamide A","w/o MS2:Nefiracetam (Translon)","w/o MS2:Lomerizine","w/o MS2:acacetin","w/o MS2:\"(3R)-3-((3R,5S,7R,8R,9S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid\"","w/o MS2:NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid","w/o MS2:Meloxicam (Mobic)","w/o MS2:Dehydroevodiamine","w/o MS2:(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol","w/o MS2:2-[2-hydroxy-1-(4-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:rutamarin","w/o MS2:Nisoldipine (Sular)","w/o MS2:Clozapine (Clozaril)","w/o MS2:NNEI - N-1-naphthalenyl-1-pentyl-1H-indole-3-carboxamide 20 NCE","w/o MS2:POTASSIUM SORBATE","w/o MS2:NCGC00384836-01_C43H70O12_(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-Triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone","w/o MS2:NCGC00381203-01_C31H46N4O7_2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, 3-(7,8-dihydroxy-6-oxooctyl)octahydro-9-(1-methylpropyl)-6-(phenylmethyl)-","w/o MS2:Pesticide7_Fenpropimorph_C20H33NO_Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-","w/o MS2:S4:17(P3:15/F1:2)","w/o MS2:2-(undec-1-en-1-yl)quinolin-4-ol:Series 2 HAQ C11:1","w/o MS2:NCGC00384909-01! [IIN-based: Match]","w/o MS2:(4aS,5R,6S,8aS)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","w/o MS2:Adenosine monophosphate","w/o MS2:13,15-dihydroxy-9-methoxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","w/o MS2:Veraguensin","w/o MS2:[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol","w/o MS2:Fusarinin C","w/o MS2:alpha-TOCHOPHERYL ACETATE","w/o MS2: hexadecanedioic acid","w/o MS2:\"MLS001032152-01!5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]-3,4,8,8-tetramethyl-9,10-dihydropyrano[2,3-h]chromen-2-one\"","w/o MS2:Cabazitaxel (Jevtana)","w/o MS2: 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3H-benzo[f]chromen-3-one","w/o MS2:\"12b-O-[deca-2Z,4E-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol\"","w/o MS2:Protoporphyrin, disodium salt","w/o MS2:Androst-5-ene-3,17-diol","w/o MS2:2,2,4-Trimethylpentane-1,3-diyl dibenzoate","N-((S)-1,2,3-trimethoxy-10-(((S)-4-methyl-1-oxo-1-(4-(piperidin-1-ylsulfonyl)-1,4-diazepan-1-yl)pentan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2: Calycanthine","w/o MS2:1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one","w/o MS2:NCGC00384971-01_C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside","w/o MS2:(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid","w/o MS2:Imazaquin","w/o MS2:Aristololactam","w/o MS2:2,3-dihydromicrocolin C","w/o MS2: Saikosaponin A","w/o MS2:Delsemine A","w/o MS2: icos-19-ene-1,2,4-triol","w/o MS2: Norharman","w/o MS2:(1S,2R,4S,9R,10R,14S,15S,17S)-9-(furan-3-yl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0?,?.0?,??.0?,??]octadecan-17-yl propanoate","URSODEOXYCHOLATE","7,8-dimethylalloxazine (lumichrome)","w/o MS2:Arnicolide C","w/o MS2:Arnicolide D","w/o MS2:3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one","w/o MS2: Smenospongidine","w/o MS2:quinine","w/o MS2:Anemarsaponin C","w/o MS2:arctigenin","w/o MS2: Dendroamide C","w/o MS2:2,3-Dideoxyuridine","w/o MS2:Sulindac","w/o MS2:1,2,3,6-tetragalloylglucose","Glutamine","w/o MS2:17-hydroxy-3-oxo-, (17??)-19-Norpregna-5(10),9(11)-diene-21-nitrile","w/o MS2:NCGC00384968-01!7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000847022]","w/o MS2:NCGC00380646-01!(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid","w/o MS2: terpestacin","w/o MS2:Hesperidin","w/o MS2:(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one","w/o MS2:Glutamine conjugated cholic acid","w/o MS2:euphodendroidin K","w/o MS2:euphodendroidin E","L-Pipecolic acid; CE30; HXEACLLIILLPRG-YFKPBYRVSA-N","w/o MS2:ethyl 4-[(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-13-(acetyloxy)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1^{4,7}.1^{15,19}.0^{5,30}]tritriaconta-1,3,5(30),9,21,23,...","w/o MS2: NCGC00381186-01_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","w/o MS2:NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]","w/o MS2:Fructoselysine","w/o MS2: methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate","w/o MS2:1,3-Diphenylguanidine","w/o MS2: euphodendroidin Q","w/o MS2:NCGC00380084-01_C21H30O4_Benzo[b]cyclopenta[e]pyran-8(3H)-one, 3a,5,6,7,9,9a-hexahydro-7-hydroxy-1-[(4E)-6-hydroxy-1,5-dimethyl-4-hexen-1-yl]-3a-methyl-","w/o MS2:Dehydroeffusol","w/o MS2: 9,10-alpha-Epoxy-eremanthin","w/o MS2:1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine","w/o MS2:Vinblastine","w/o MS2:N-AMIDINO-L-ASPARTATE","w/o MS2:Arachidonoyl Ethanolamide","w/o MS2:HAEMATOPORPHYRIN","w/o MS2:NCGC00380350-01![1,3-diacetyloxy-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate","w/o MS2:[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate","w/o MS2:NCGC00384800-01_C21H34O10_","w/o MS2:Cordycepin","w/o MS2:Quercetin-3-O-b-glucosyl-7-O-a-rhamnoside","w/o MS2:NCGC00385455-01_C11H18O8_4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid","w/o MS2: Beta-Caryophyllene Alcohol","w/o MS2:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid","w/o MS2:NCGC00384851-01_C17H28O3_2-Naphthalenemethanol, 7-(acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-","w/o MS2: Dendrobine","w/o MS2:Quercetin Pentamethyl Ether","w/o MS2:hemiasterlin","w/o MS2:NCGC00380605-01!7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one","w/o MS2:(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate","w/o MS2:Alisol C Monoacetate","w/o MS2:NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid","w/o MS2:Nelivaptan","w/o MS2:Escitalopram","w/o MS2:Verruculogen","w/o MS2:Latanoprost","w/o MS2:PYROGLUTAMATE","w/o MS2:Phloretin","w/o MS2: (3R,5S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-aminium chloride","w/o MS2:2'-Deoxyadenosine cyclic 3',5'-(hydrogen phosphate)","w/o MS2:Aniline","w/o MS2: Octadecanedioic acid","w/o MS2:3-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxyphenol","w/o MS2:C11H17NO3S; PlaSMA ID-1010","w/o MS2:Tunicamycin I -CH2 putative","w/o MS2:NCGC00347381-02!(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","w/o MS2:Axinastatin 1","w/o MS2:Bifemelane","w/o MS2:Strepin P1","w/o MS2:Gly-Gly-Gly","w/o MS2:4,15,26-trihydroxy-1-oxa-4,9,15,20,26,31-hexazacyclotritriacontane-5,8,16,19,27,30-hexone","w/o MS2:Pentoxazone","w/o MS2:4-aminovaleric acid betaine; CE0; RXHVPPWXTMHWGY-UHFFFAOYSA-N","w/o MS2:1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone","w/o MS2:Tropisetron","w/o MS2:methyl 3-(6-((6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(quinolin-4-yl)propanoate","w/o MS2:NCGC00347603-02!2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde","w/o MS2:diethyldiallylmalonate","w/o MS2:2',4-Dihydroxychalcone","Pesticide6_Fuberidazole_C11H8N2O_2-(2-Furyl)-1H-benzimidazole","w/o MS2:2-Ethylhexyl diphenyl phosphate","w/o MS2: Buxtamine","w/o MS2:Picropodophyllotoxin","w/o MS2:(E)-10,10-dimethyl-10a-(3-(pentyloxy)styryl)-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2-ol","w/o MS2:Moroidin-[ALLVWRGH]","w/o MS2:NCGC00381292-01_C42H66O19_Cardanolide, 18,20-epoxy-3-[[O-hexopyranosyl-(1->4)-O-hexopyranosyl-(1->4)-6-deoxy-3-O-methyl-alpha-L-mannopyranosyl]oxy]-14-hydroxy-, (3beta,8xi,9xi,14xi,17xi,20xi)-","w/o MS2:MMV228911","Crystal violet","w/o MS2:SSR 240612","(S)-4-methyl-2-(1H-pyrrol-1-yl)pentanoic acid","w/o MS2:Benzothiazole","w/o MS2:Isovaleric acid","w/o MS2:NCGC00381075-01!3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000847759]","w/o MS2:NCGC00385183-01!(9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid","w/o MS2:NCGC00381119-01_C13H22O6_2-Furanacetic acid, tetrahydro-alpha-methyl-5-(2-oxopropyl)-, 2,3-dihydroxypropyl ester","w/o MS2:8-methoxy-1',3'-dimethyl-2-phenyl-1'H-spiro[chroman-3,5'-pyrimidine]-2',4',6'(3'H)-trione","w/o MS2:[(2S,3R,4S,5S,6R)-2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:NCGC00385306-01_C21H23NO5_","w/o MS2:NCGC00384741-01_C19H32O7_2-Cyclohexen-1-one, 3-[3-(beta-D-glucopyranosyloxy)butyl]-2,4,4-trimethyl-","w/o MS2:(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride","Phthalic anhydride","w/o MS2:NCGC00380744-01_C22H32O11_beta-D-Glucopyranoside, 4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:Phomalone","w/o MS2:2,6-dihydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3-(3-methoxyphenyl)pyrimidin-4(3H)-one","w/o MS2:5-hydroxyculmorin","w/o MS2:NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one","w/o MS2:Threonine conjugated chenodeoxycholic acid","w/o MS2:NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate [IIN-based on: CCMSLIB00000848201]","w/o MS2:5-Methyl-2-thiouridine","w/o MS2:Ectoine","w/o MS2:16-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0?,?.0?,?.0??,??]icosane-6,2'-piperidine]-3-one","w/o MS2: (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0?,?.0?,?.0??,??]icosane-6,2'-piperidine]-3-oloxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol","w/o MS2:Aripiprazole","w/o MS2:(2S)-2-[(2R,3S,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-3-methylbutanoic acid","w/o MS2:Cyclo(proline-leucine)","w/o MS2: ACARBOSE","w/o MS2:Lyso-PC 18:1(9Z)","w/o MS2: (1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid","w/o MS2:7'-hydroxy-N-geranyl-L-glutamic acid","w/o MS2: Nafadotride","w/o MS2:3-[(3R,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2:NCGC00381190-01_C27H29N5O5_","w/o MS2:Salmeterol","w/o MS2: 7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone","w/o MS2:Aucubin","w/o MS2:(2S,3S,4S,5S,6R)-2-(((2aR,4S,5aS,7S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)hexadecahydrocyclopenta[a]cyclopropa[e]phen...","w/o MS2: Matrine","w/o MS2:(1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid","w/o MS2:Melezitose","w/o MS2:12-O-[octa-2Z,4E-dienoyl]-13-isobutyroyloxy-4-deoxyphorbol","w/o MS2:12-deoxy-6R,7R-epoxy-5beta-hydroxy-phorbol-13-hexadecanoate","w/o MS2:Isoprothiolane","1-METHYLADENOSINE","w/o MS2:Hydroxypyruvic acid dimethyl ketal phosphate tri(cyclohexylammonium) salt","w/o MS2:deoxybrevianamide E","w/o MS2:(3a1R,4R,5S,5aR,10bR)-methyl 4-acetoxy-3a-ethyl-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate","w/o MS2: S4:17(P3:15/F1:2); PlaSMA ID-3138","w/o MS2:methyllycaconitine","w/o MS2:Tricoumaroyl spermidine (isomer of 2952)","w/o MS2:(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one","w/o MS2:(1R,5R)-8-oxo-N-(pyridin-3-yl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide","w/o MS2: N-Palmitoyl-D-erythro-Sphingosine","w/o MS2:Chorismic acid","w/o MS2:NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based: Match]","w/o MS2:NCGC00385855-01!(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2,4-dimethoxy-6-methylbenzoate","w/o MS2:Pesticide6_Cyproconazole Isomer 1*_C15H18ClN3O_","w/o MS2:6-(methylamino)hexane-1,2,3,4,5-pentaol","w/o MS2:Siomycin_D1","w/o MS2: Trifolirhizin","w/o MS2:Naucleidinal","w/o MS2:\"(9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-1,2,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one\"","w/o MS2:NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]","w/o MS2:4-methyl-7-diethylaminocoumarin","w/o MS2:Gallocatechin","w/o MS2:NCGC00380951-01_C23H29N3O4_1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6,12-dimethoxy-3-(1-methylethyl)-","w/o MS2: 8-acetamido-2-methyl-7-oxononanoic acid","w/o MS2:NCGC00347533-02_C31H40O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxopropoxy)-2,13-dioxo-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)-","w/o MS2:7,4'-DIMETHOXYISOFLAVONE","w/o MS2:Gypsogenin 3-O-beta-D-glucuronopyranoside","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,8R,9R,10R,11R,12aR)-1,8,10,11-tetrahydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","Anileridine","Kukoamine B","w/o MS2:Oleanane -2H, +2O, 1COOH, O-HexA-HexA","w/o MS2:methyl (1S,4aS,6R,7S,7aS)-5,6-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","w/o MS2:Pyrrolidine; CE0; RWRDLPDLKQPQOW-UHFFFAOYSA-N","w/o MS2:Baohuoside II","w/o MS2:Ecgonine","w/o MS2:Pipamperone","Cyclo-prolylglycine","w/o MS2:(S)-ethyl 4-(4-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)butanoyl)piperazine-1-carboxylate","w/o MS2:L-ISOLEUCINE","w/o MS2:\"2-((4R)-4-((3R,5R,6S,7S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid\"","w/o MS2:Propentofylline","w/o MS2:MLS001076300-01!17ALPHA-HYDROXYPROGESTERONE","w/o MS2:Arenobufagin 3-hemisuberate","w/o MS2:Xylobiose","w/o MS2: Hexaethylene glycol; CE10; IIRDTKBZINWQAW-UHFFFAOYSA-N","w/o MS2: Solasodine","w/o MS2:Syringaldehyde","w/o MS2:NCGC00347790-02!2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid [IIN-based on: CCMSLIB00000848867]","w/o MS2:3-(2-((3-(2-carboxyethyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrr ol-3-yl)propanoic acid","w/o MS2:Traversianal","w/o MS2:NCGC00385709-01_C34H54O23_alpha-D-Glucopyranoside, O-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-beta-D-glucopyranosyl-(1->2)-4-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-","w/o MS2: MMV407834","w/o MS2: Docosapentaenoic acid (DPA; cis-22:5n-3)","w/o MS2:Strophanthidin","w/o MS2: Lauric isopropanolamide","w/o MS2: Prosulfocarb; LC-ESI-ITFT; MS2; CE","w/o MS2:epiyangambin","w/o MS2:2-Aminoethylphosphonic acid","w/o MS2:Hydroquinone","w/o MS2:4-hydroxy-1'-methylspiro[benzo[e][1,3]oxazine-2,3'-indolin]-2'-one","w/o MS2:Vincanidine","w/o MS2:Yaequinolone F_120178","S-Adenosyl-methionine","w/o MS2: Homoharringtonine","w/o MS2:Cepharanthine","w/o MS2:Ajmalicine","Isosinensetin","w/o MS2:D-(+)-Cellobiose","w/o MS2:Pheniramine","w/o MS2:Tunicamyin C putative","indole","w/o MS2:NCGC00380550-01_C24H40O5_4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","w/o MS2:Metazachlor BH479-12","w/o MS2:2-Cyanopyridine","w/o MS2:NCGC00386018-01_C49H79NO17_Olean-12-en-28-oic acid, 16-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->2)-O-6-deoxy-beta-D-galactopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,18xi)-","w/o MS2:24-epimakisterone A","w/o MS2:(7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-2,13,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-phenylphenyl)amino]-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaene-6,23,27,29-tetrone","w/o MS2:Decyltyrazolone","w/o MS2:4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-5-yl)-6-ethylbenzene-1,3-diol","w/o MS2: Fenpropimorph; LC-ESI-ITFT; MS2; CE","w/o MS2:Strychnogucine A","w/o MS2:5-(8,11,14-pentadecatrienyl)resorcinol","w/o MS2:Palmyramide A","w/o MS2: Phthalic anhydride; LC-ESI-QTOF; MS2; [M+H]+; CE","w/o MS2:(Z)-7-((butyl(methyl)ammonio)methyl)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-olate","w/o MS2:NCGC00385441-01_C16H26O8_beta-D-Glucopyranose, 1-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-1-oxo-2,6-octadien-1-yl]-","w/o MS2:Derrustone","w/o MS2:Licoflavone A","w/o MS2:NCGC00385443-01!(2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid","w/o MS2:\"12b-O-[deca-2E,4Z-dienoyl]-13a-(2-methylbutyl)-4b-phorbol\"","w/o MS2:Jervine","w/o MS2:Fulvestrant (Faslodex)","w/o MS2:NCGC00381025-01_C36H54O12_2,7-Octadienoic acid, 6-[[3,4-bis-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-beta-D-glucopyranosyl]oxy]-2,6-dimethyl-, (2E)-","w/o MS2:cyclic 3-(1,2-ethanediyl acetal) estra-5(10),9(11)-diene-3,17-dione","w/o MS2:NCGC00380763-01_C48H76O19_(3beta,5xi,9xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranuronosyl-(1->2)-beta-D-glucopyranosiduronic acid","w/o MS2:Dronedarone","w/o MS2:\"(3R)-3-((3R,5R,6S,8S,9S,10R,13R,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid\"","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate","w/o MS2: Vardenafil","w/o MS2:Isotetrandrine","w/o MS2:Putative (3-hydroxyhexadecanoyl)glycine (aka Commendamide)","w/o MS2:2-((13-allyl-8-oxo-8H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-12-yl)oxy)-N-cyclopropylacetamide","w/o MS2:NCGC00169651-02!(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one [IIN-based: Match]","w/o MS2: NCGC00169629-02_C27H28N2O4_Benzenepropanamide, N-[2-(acetyloxy)-1-(phenylmethyl)ethyl]-alpha-(benzoylamino)-","w/o MS2:NCGC00380572-01!4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol [IIN-based on: CCMSLIB00000847713]","w/o MS2: 12'-Apoastaxanthinal; FAB-EBEB; MS2; m/z","w/o MS2:Podototarin","w/o MS2:NCGC00385692-01_C44H68O14_3-Hydroxyspirosta-5,25(27)-dien-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-(2-hydroxy-3-methylpentanoyl)-alpha-L-arabinopyranoside","w/o MS2:5,7-O-Diacetyl-14-O-benzoyl-3-O-propanoylmyrsinol","w/o MS2: NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide","w/o MS2:MLS001076142-01!","w/o MS2: (4R)-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl nonanoate","w/o MS2:STIGMASTA-4,22-DIEN-3-ONE","w/o MS2:2-(5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)-N-((octahydro-1H-quinolizin-1-yl)methyl)acetamide","w/o MS2:NCGC00384615-01!3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one [IIN-based on: CCMSLIB00000848348]","L-Tyrosine","w/o MS2:Streptomycin","w/o MS2:Pesticide5_Thiofanox_C9H18N2O2S_Benelux","4-Hydroxycoumarin","w/o MS2:NCGC00385227-01_C16H24O8_beta-D-Glucopyranoside, 4-(3-hydroxypropyl)-2-methoxyphenyl","w/o MS2:D-PANTOTHENIC ACID","w/o MS2:NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000845271]","w/o MS2:NCGC00384721-01!(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based on: CCMSLIB00000847575]","w/o MS2:NCGC00380910-01_C15H17NO5_2,6-Piperidinedione, 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl]-","w/o MS2:\"MLS001148580-01!6ALPHA,9ALPHA-DIFLUOROPREDNISOLONE 21-ACETATE 17-BUTYRATE\"","w/o MS2:Stachybocin B","w/o MS2:Kasugamycin Hydrochloride","gamma-Glutamyltyrosine","w/o MS2:Deoxymyxol 2'-(2,4-di-O-methyl-fucoside)","w/o MS2:Spiroxamine","w/o MS2:DL-p-Hydroxyphenyllactic acid","w/o MS2:(1S,8R,16S,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.0?,??.0?,??.0?,??.0?,??]henicosa-2,9,11,13-tetraen-21-one","w/o MS2:3-Phosphonopropionic acid","w/o MS2:alpha-lobeline","2-Naphthylamine","Cephaeline","w/o MS2:FA 18:3+1O","FA 18:3+1O","w/o MS2:NCGC00385653-01_C36H40O8_","w/o MS2:Betaine","w/o MS2:Lagochilin","w/o MS2:2-(4-aminotetrahydro-2H-pyran-4-yl)acetic acid","w/o MS2:1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid","w/o MS2:(S,R)-5,5'-(1,4-phenylenebis(methylene))bis(1,3-dimethyl-5-(((1S,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)pyrimidine-2,4,6(1H,3H,5H)-trione)","w/o MS2:Phosphatidylethanolamine (16:0/16:1) Abbr: PPoPE or (14:0/18:1) Abbr: MOPE","N~1~,N~4~-bis(3-aminopropyl)-1,4-butanediamine","w/o MS2:(Z)-methyl 2-(2-(3,7-dioxo-2-(2,3,4-trimethoxybenzylidene)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromen-9-yl)-6-methoxyphenoxy)acetate","w/o MS2:NCGC00384562-01!(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide","w/o MS2:Oleoyl sarcosine","w/o MS2:PYR_166.1340_2.9","w/o MS2:10-OH-Aconitine","w/o MS2:Phenprobamate","w/o MS2:TRH","w/o MS2:Moroidin-[QLLVWRAH]","w/o MS2:NCGC00385844-01_C15H28O2_7-(2-Hydroxy-2-propanyl)-1,4a-dimethyldecahydro-1-naphthalenol","w/o MS2:C17H33N3O4; PlaSMA ID-1895","w/o MS2:C17H33N3O4; PlaSMA ID-1894","w/o MS2:NCGC00347521-02!3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000848965]","w/o MS2:Estriol","w/o MS2: Cinobufagin","w/o MS2:NCGC00384974-01!4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol","w/o MS2:Metronidazole","LPC 18:1; PlaSMA ID-2760","w/o MS2:germacrone","w/o MS2:Valine","w/o MS2:Glycerol","w/o MS2:Sinapoylhexoside","w/o MS2:5-O-methyllicoricidin","w/o MS2:Bryoamaride","LPC 18:1; PlaSMA ID-2759","w/o MS2:NCGC00385148-01_C37H42O13_(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,7,12-Triacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-5,8-diyl dibenzoate","w/o MS2:NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate [IIN-based: Match]","w/o MS2:(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-[(2R,4'S,7'S,8'R,9'S,13'R,14'R,16'R)-7',9',13'-trimethyl-5-methylidene-16'-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0?,?.0?,?.0??,??]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol","w/o MS2:isochromophilone VI","w/o MS2: Buddlejasaponin IVb","w/o MS2:4-((3S,10R,13R,14S,17R)-3-(((2R,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10-(hydroxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:NCGC00016435-14!7-methoxy-1-methyl-9H-pyrido[3,4-b]indole","w/o MS2:Glutamyl-S-(C8H17O)-cysteinylglycine","w/o MS2:3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE delta-LACTONE","w/o MS2:Celiprolol","w/o MS2:NCGC00347762-02!3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione","w/o MS2: (9S,14S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol","w/o MS2:3,5-dihydroxydecanoic acid","w/o MS2:ISOROTENONE","w/o MS2:evodiamine","w/o MS2:NCGC00380798-01_C45H57N3O9_(3S,6R,9S,12R,15S,18R)-3,9,15-Tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","w/o MS2:MLS001306483-01!Cytoxan6055-19-2","w/o MS2:NCGC00384679-01_C33H44O9_(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-Triacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate","w/o MS2:NCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846977]","w/o MS2:(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol","w/o MS2:MLS002153993-01!Alclometasone dipropionate66734-13-2","w/o MS2:beta,beta-carotene","w/o MS2:Tunicamyin I -2xCH2","w/o MS2:(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Strychnophylline","w/o MS2:UREIDOPROPIONATE","w/o MS2:[(7R,8R,10R,13S)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate","w/o MS2:Solanidin","3-Cyanopyridine","w/o MS2:NCGC00180327-02![(E)-3-acetyloxy-7-hydroxy-6-methoxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate","w/o MS2:[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate","w/o MS2:Moroxydine","w/o MS2:NCGC00384818-01_C27H30O11_","w/o MS2:NCGC00385549-01_C44H64O18_Olean-12-en-29-oic acid, 22-(acetyloxy)-3-[(2-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxo-","w/o MS2:Mairine B","w/o MS2:Palmitoyl-L-Carnitine","w/o MS2:3-Methoxycolensoic acid","w/o MS2:NCGC00380808-01!(6aS)-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol","w/o MS2: (9Z)-9-octadecenoic acid","w/o MS2:methyl 2-ethyl-4-[(3R,4R,5S)-5-hydroxy-4,5-dimethyl-2-oxooxolan-3-yl]-2-methyl-3-oxobutanoate","w/o MS2:Nordihydrocapsaicin","w/o MS2:NCGC00385325-01_C36H54O13_Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-, (3beta,5alpha,17alpha)-","w/o MS2:Crocin I","w/o MS2:(1R,5S)-3-((3-benzyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one","w/o MS2:alpha-oxo-1h-indole-3-propanoic acid","w/o MS2:methyl 2-benzamido-3-phenylpropanoate","w/o MS2:desmotroposantonin","w/o MS2:NCGC00380508-01_C34H46O14_Propanoic acid, 2-methyl-, (2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-pentakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclododecen-7-yl ester","w/o MS2:Ingenol O-Decatrienoyl, O-Ac or isomer putative","w/o MS2:KITASAMYCIN","w/o MS2:Indole-3-acetyl-L-valine","w/o MS2:Sucralose","w/o MS2:Diethylstilbestrol","w/o MS2: Dehydropachymic acid","w/o MS2:Polyporenic acid C","w/o MS2: Colladine [M-H2O+H]+","Sinensetin","w/o MS2:Alprazolam","Progesterone","w/o MS2:5-Ethyl-2'-deoxyuridine","w/o MS2:Hyoscyamine sulfate hydrate","w/o MS2:1-Monostearin","w/o MS2:Vobtusine","w/o MS2:NCGC00169729-02!2-(1-hydroxyethyl)-4-(2-hydroxypropyl)-2H-furan-5-one","w/o MS2:3-Amino-Beta-Pinene","w/o MS2:Adenosine_Diphosphate","w/o MS2:Acetylaconitine","w/o MS2:CP-642931","w/o MS2: eserine","w/o MS2:NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]","w/o MS2:NCGC00347634-02!2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-12,16-dione","w/o MS2:N-desmethylclindamycin sulfoxide","w/o MS2:Alverine Citrate","w/o MS2: Viramune","w/o MS2:Microcystin-LR","w/o MS2:S-((3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) O-(4-nitrophenyl) carbonothioate","w/o MS2:(R)-4-aminoisoxazolidin-3-one","w/o MS2:Forchlorfenuron","w/o MS2:\"methyl (6R)-2-(hydroxymethyl)-6-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoate\"","w/o MS2:NCGC00386063-01_C21H28O4_","w/o MS2:L-Tyrosine","w/o MS2:NCGC00385752-01!methyl (1R,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate","w/o MS2:Safflomin A","Etofylline","w/o MS2:Tetrahydroalstonine","w/o MS2:Alibendol","w/o MS2:Cyanopeptolin A","w/o MS2:Maltotriose","w/o MS2:NCGC00385359-01_C30H46O7_(3beta,8xi,9xi)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide","w/o MS2:Ciprofloxacin","w/o MS2:Bearline","w/o MS2:NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848442]","w/o MS2:Masitinib (AB1010)","w/o MS2:1-methylxanthine","w/o MS2:Kaurane","w/o MS2:Camptothecin","w/o MS2:Licoricidin","w/o MS2:Dicaffeoyl Coumaroyl Spermidine","w/o MS2: 20(S),24(R)-Ocotillol","w/o MS2:NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based on: CCMSLIB00000847678]","w/o MS2:(1S,3R,6S,6aR,6bR,8S,9S,11R,11aR,12R,12aR,14R)-1-ethyl-6,8,11-trihydroxy-3-methyl-10-methylenetetradecahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocine 1-oxide","w/o MS2:TRIGONELLINE","w/o MS2:1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine","w/o MS2:2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Midazolam","w/o MS2:Ferrichrome [M-H2+Fe]","w/o MS2:NCGC00381417-01_C39H53N7O9_Pyrrolo[2,1-o][1,4,7,10,13,16,19]benzoheptaazacyclodocosine-6,9,12,15,18,23,26(5H)-heptone, 7,8,10,11,13,14,16,17,18a,19,20,21,24,25-tetradecahydro-13-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-10-methyl-24-(1-methylethyl)-16-(1-methylpropyl)-","w/o MS2:\"7_-O-acetoxy-5_-14_-O-dibenzoyloxy-15_-hydroxy-3_-propanoyloxy-17,13-oxypremyrsinol\"","Lauryldiethanolamine","w/o MS2:PLATYPHYLLENONE","w/o MS2:Datiscin","w/o MS2:Quebrachamine","w/o MS2:Aloin A","w/o MS2:(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","w/o MS2:Paromomycin","w/o MS2:9,13-epoxy-3,15,16,18-labdanetetrol","p-Coumaraldehyde","w/o MS2:9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one","w/o MS2:DEHYDROEPIANDROSTERONE","w/o MS2:palythine","w/o MS2:Sulfamethoxazole","w/o MS2:NCGC00169717-02!(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one","w/o MS2:Memantine","w/o MS2:phenyl(1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-7-yl)methanone","w/o MS2:ANTIMYCIN A (A1 shown)","Tuberostemonine","w/o MS2: Nandrolone; LC-ESI-QTOF; MS2; CE","w/o MS2:N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide","w/o MS2:OP (TENTATIVE)","w/o MS2: HYOSCYAMINE","w/o MS2:Cadin-4-En-10-Ol","w/o MS2:NCGC00380670-01_C19H36O8_[5-Hydroxy-2-(3-hydroxybutyl)-3,3-dimethylcyclohexyl]methyl beta-D-glucopyranoside","w/o MS2:NCGC00380641-01!5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentanoic acid","w/o MS2: austadiol","w/o MS2:3,4-dihydro-papaveraldine","w/o MS2:Smyrindioloside","w/o MS2:6-[[(2R,3R,6aR,6bS,8aS,12aS,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","w/o MS2:\"2alpha-acetoxy-3beta,22alpha-stictandiol\"","w/o MS2:(4-methylcyclohex-3-ene-1,1-diyl)dimethanol","w/o MS2: Geranylgeranyl 1,4-hydroquinone","w/o MS2:cyclo(methionylpropyl)","w/o MS2:h_46_clostebol_m","w/o MS2:NCGC00380259-01!2-[[4-[4,6-dihydroxy-3-(3-methylbut-2-enyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000848767]","w/o MS2:6-Benzoylheteratisine","w/o MS2: Chrysin","Coumarin","w/o MS2:NCGC00384740-01_C21H34O9_2(1H)-Azulenone, 6-(beta-D-glucopyranosyloxy)-4,5,6,7,8,8a-hexahydro-5-hydroxy-5-(1-hydroxy-1-methylethyl)-3,8-dimethyl-","w/o MS2:(8Z,8'Z)-8,8'-bis(((3,4-dimethoxyphenethyl)amino)methylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione","N-methyl-N-(2-(pyridin-2-yl)ethyl)-2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamide","w/o MS2:(6aR,8aS)-11-(3-acetamido-2-methylpropyl)-6a,8a,9-trimethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,8b,9,10,12,12a,12b-hexadecahydropentaleno[2,1-a]phenanthren-4-yl acetate","w/o MS2:Dauricine","w/o MS2:Xylose","w/o MS2:Picrolichenic acid","w/o MS2:5-Methoxytryptamine","w/o MS2:NCGC00385813-01_C25H30O12_(5E)-5-[2-(beta-D-Glucopyranosyloxy)ethylidene]-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-2-methyl-1-cyclopentene-1-carboxylic acid","w/o MS2: (1r,5R,7S)-2-(1H-indol-4-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one","w/o MS2:NCGC00347642-02!","5-OXO-L-PROLINE","Benzothiazole","w/o MS2:NCGC00380102-01!3-hexadecyl-4-methoxy-5-methyloxolan-2-one","w/o MS2:(1S,6R,10S,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-[(2-methylbutanoyl)oxy]-5-oxotetracyclo[8.5.0.0?,?.0??,??]pentadeca-3,8-dien-14-yl (2E)-2-methylbut-2-enoate","w/o MS2:lindenenol","w/o MS2:N-Cyclohexylformamide","w/o MS2:13-(acetyloxy)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0?,?.0??,??]pentadeca-3,8-dien-14-yl (2E)-2-methylbut-2-enoate","w/o MS2:cimifugin, (s)-form, 1''-o-beta-d-glucopyranoside","w/o MS2:Diacetylpyxinol","w/o MS2:4-(2-Nitroethyl)phenyl 6-O-?-D-xylopyranosyl-?-D-glucopyranoside","w/o MS2:NCGC00180697-02_C17H22O3_1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)-","w/o MS2:2-Myristoylglycerol","w/o MS2:Momordicoside A","w/o MS2:NCGC00385954-01!3-(2,4,5-trimethoxyphenyl)propanoic acid [IIN-based on: CCMSLIB00000846847]","w/o MS2:Butralin","w/o MS2: 2-decyl-3-hydroxypentanedioic acid","w/o MS2:Heptadecanoic acid","w/o MS2:[(E)-3-acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate","w/o MS2:chaetoglobosins","w/o MS2:3-hydroxy-glabrol","w/o MS2:ALPHA-AMINOADIPATE","w/o MS2:NCGC00380458-01_C30H42O10_Butanoic acid, (1R,3aR,3bS,4aR,6S,7S,7aR,8R,8aR,9aR)-1,4a,8-tris(acetyloxy)tetradecahydro-2,2,3b,6,8a-pentamethyl-4,9-dioxo-1H-cyclopent[a]-s-indacen-7-yl ester","w/o MS2:1-(hexadecanoyloxy)-3-hydroxypropan-2-yl-octadec-9-enoate","zapotin","NCGC00179781-03![8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848207]","w/o MS2:Phytosphingosine (not validated, isomer of 1696)","w/o MS2:Arbutin","w/o MS2:NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde","w/o MS2:2-amino-3-prop-2-enylsulfinylpropanoic acid","w/o MS2:6-ethyl-2,3,5-trimethyl-7H-furo[3,2-g]chromen-7-one","w/o MS2:CMP","w/o MS2:Pesticide6_Triflumizole_C15H15ClF3N3O_4-Chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine","w/o MS2:D-(?)-Quinic acid","w/o MS2:Vitamin K1","w/o MS2:dehydrocostus lactone","w/o MS2:GUANOSINE 5'-DIPHOSPHOGLUCOSE","w/o MS2:Pesticide1_Temephos_C16H20O6P2S3_O,O,O',O'-Tetramethyl O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate)","w/o MS2:MMV202458","w/o MS2:NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based: Match]","w/o MS2:NCGC00384888-01_C21H32O9_","w/o MS2:3,4-dihydro-2,2-dimethyl-pyrano[3,2-c][2]benzopyran-6(2H)-one","w/o MS2:10'-(3-methoxy-4-((1-methyl-1H-imidazol-2-yl)methoxy)phenyl)-9',10'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromene]-4',8'-dione","(3,4,5-trimethoxyphenyl)methanaminium (10S,13R,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylate","w/o MS2: Karacoline","w/o MS2:Apixaban","w/o MS2:(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one","w/o MS2:3-Hydroxy-12-ursen-28-oic acid","w/o MS2:DEOXYCYTIDINE MONOPHOSPHATE","w/o MS2:(Z)-3-aminonon-5-enoic acid","w/o MS2:Phakellistatin 13","w/o MS2:Leucine methyl ester","w/o MS2:Vinorelbine","w/o MS2: NCGC00384951-01!2-(6-hydroxy-6-methylheptyl)-2H-furan-5-one","w/o MS2:alpha-Methyl-DL-serine","w/o MS2:Smenathiazole B","w/o MS2:Crassostreaxanthin A","w/o MS2:Aloeresin D","w/o MS2:Harmine","w/o MS2: ethyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanoate","w/o MS2:EPINEPHRINE","w/o MS2:\"(3R)-3-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid\"","w/o MS2:Temozolomide","w/o MS2:Flufenacet-ESA","w/o MS2:Bergenin","w/o MS2: MLS000516034-01!","w/o MS2:2-Amino-5-methylbenzenesulfonic acid","w/o MS2:geniposidic acid","w/o MS2:(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate","w/o MS2:tunicamycin I","w/o MS2:goniomedine A N-oxide","w/o MS2:NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione","w/o MS2:Geranylgeranyl 1,4-hydroquinone","w/o MS2:NCGC00380192-01! [IIN-based on: CCMSLIB00000847542]","w/o MS2:3-methoxy-6-methyl-6,7-dihydro-5h-dibenzo[c,e]azepin-2-ol","6-(gamma,gamma-Dimethylallylamino)purine riboside","w/o MS2:Tilidine","w/o MS2:2,3-Dideoxycytidine","NCGC00168965-02_C21H32O11_beta-D-Glucopyranoside, 3-(4-hydroxyphenyl)-1-methylpropyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2: Glycerol tritetradecanoate","w/o MS2: Soy bean phospholipid","w/o MS2:Triadimefon","w/o MS2:Epiandrosterone","w/o MS2:Xefoampeptide D","w/o MS2:Serpentine","w/o MS2: IRGANOX 1098; MALDI-TOFTOF; MS2; CE","w/o MS2:euparin","w/o MS2:Hepa-methoxymethyl-melamine_putative_incourse_fragment","pregn-4-ene-3,20-dione","w/o MS2:sinapyl alcohol","w/o MS2:NCGC00347875-02!2,4-bis(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol","w/o MS2:(+)-Dihydrokavain","w/o MS2:Valsartan","w/o MS2:Polyphyllin A","w/o MS2:NCGC00180423-02!5-[4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","w/o MS2:Anthracene","w/o MS2:N-Methylnuciferine","w/o MS2:NCGC00169378-02!(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide","w/o MS2:N-nornuciferine","w/o MS2:NCGC00380372-01!N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide","w/o MS2:h_295_6a_hydroxy_gestrinone","w/o MS2:6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0?,??.0?,?.0?,?.0??,??.0??,??]tricosan-14-yl 2-methylbutanoate","w/o MS2:sodium (2R)-2-((2R,5S,6R)-6-((3E,5E)-6-((3aR,4S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)hexa-3,5-dien-3-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoate","w/o MS2:Afrormosin 7-O-beta-d-glucoside-6''-O-malonate","(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-28-(4-methylpiperidin-1-yl)-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1^{4,7}.1^{15,19}.0^{5,30}]tritriaconta-1,3,5(30),9,21...","w/o MS2:Mirtazapine","w/o MS2: karakoline","w/o MS2: Dehydroabietamide","w/o MS2:NCGC00169156-03_C24H28O9_[(2'R,3R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(3-furyl)-2'-methyl-2,4'-dioxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl acetate","w/o MS2:NCGC00384951-01!2-(6-hydroxy-6-methylheptyl)-2H-furan-5-one","w/o MS2:Cycloaspeptide A_130056","w/o MS2:USNIC ACID","w/o MS2:THD","w/o MS2: 5,6,7-Trimethoxycoumarin","w/o MS2:Nicotinamide hypoxanthine dinucleotide sodium salt","w/o MS2:Quaternium-15 (free base)","w/o MS2:4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one","w/o MS2:Prehumulone/Adprehumulone","w/o MS2:Germinaline","w/o MS2:NCGC00380966-01_C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)-","w/o MS2:(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid","w/o MS2:arctiin","w/o MS2:Allopregnanolone","w/o MS2:(1R,3aR,3bS,4aR,6S,7S,7aR,8R,8aR,9aR)-1,4a,8-tris(acetyloxy)-2,2,3b,6,8a-pentamethyl-4,9-dioxo-tetradecahydro-1H-cyclopenta[a]s-indacen-7-yl butanoate","w/o MS2: 5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","w/o MS2:(3S,3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione","w/o MS2:1-Palmitoyl-2-oleoyl-3-linoleoyl-rac-glycerol","w/o MS2:7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol","w/o MS2:NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid","w/o MS2:Alfuzosin","w/o MS2:2-methyl-4-(pyridin-2-yl)but-3-yn-2-ol","w/o MS2:Reduced Glutathione","w/o MS2:NCGC00347618-02!3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide","w/o MS2:Propionylcarnitine","w/o MS2:Carbimazole","w/o MS2:\"MLS000863608-01!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid\"","w/o MS2:Tobramycin 1-N- or 3- N-formyl","Methyltyrosinate","w/o MS2:TACROLIMUS","w/o MS2:Kainic Acid","w/o MS2:[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","w/o MS2: Fenpropidin","w/o MS2:Pterostilbene","w/o MS2:Lichesterinic acid","w/o MS2: Conessine","w/o MS2:Mappain","w/o MS2:deoxycholic acid","w/o MS2: Enoxolone","w/o MS2:\"(2R,3R,6R)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid\"","w/o MS2:CBDZ-M","w/o MS2:7-Hydroxymitragynine; PlaSMA ID-2263","w/o MS2:Arachidoyl Ethanolamide","w/o MS2:[2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate","w/o MS2:TES","w/o MS2:Quinadoline B_130007","Aloe-emodin","w/o MS2:Koninginin A","w/o MS2:Glomelliferic acid","w/o MS2: Solasodiene (not validated); PlaSMA ID-2172","w/o MS2:Terazosin","w/o MS2:MMV084864","w/o MS2:NCGC00380775-01_C13H15N3O5_","w/o MS2:2,7,7,11,15,17-hexamethyl-18-methylidene-5,13,16-trioxo-6,14-dioxatetracyclo[9.8.0.0?,?.0??,??]nonadec-3-en-10-yl acetate","w/o MS2:NCGC00347625-02_C24H34O7_{(1R,4aR,5S,6R,8S,8aR)-8-Acetoxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate","w/o MS2:SR 57227A","w/o MS2:Ketoisovaleric acid","w/o MS2:(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid","w/o MS2:Pericyclivine","w/o MS2:5,9-dihydroxy-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one","w/o MS2: Phenyltetrazole","w/o MS2:(3aR,3a1S,5S,5aS,10bS)-methyl 6-acetyl-3a-ethyl-2,3,3a,3a1,4,5,5a,6,11,12-decahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate","w/o MS2:Parfumine","w/o MS2:Clarithromycin N-Oxide","w/o MS2:(E)-1-(4-methylquinazolin-2(1H)-ylidene)guanidine","w/o MS2:Bis(2-ethylhexyl)phosphate","w/o MS2:Sipeimone","w/o MS2:Dibromophakellin - CASMI2016 Category 1 - Challenge 1","w/o MS2:(2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(1-benzylpiperidin-4-yl)-3-methylpentanamide","w/o MS2:NCGC00347530-02_C20H30O8_Picras-4-en-16-one, 1,2,11,12,14,15-hexahydroxy-, (1beta,2alpha,9xi,11beta,12alpha,15beta)-","w/o MS2:Triethylphosphate","w/o MS2:Arylomycin A4","w/o MS2:NCGC00380367-01_C21H24O5_7-Benzofurancarboxylic acid, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-6-(2-phenylethyl)-","w/o MS2:\"2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid\"","w/o MS2:NCGC00385966-01!4-[5-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol","w/o MS2:Campesterol","w/o MS2:Pirimiphos-ethyl","w/o MS2:N6-benzyl-7H-purine-2,6-diamine","w/o MS2: taurodeoxycholic acid","w/o MS2:Speciofiline","w/o MS2:MLS002415724-01!","w/o MS2:1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate","w/o MS2:4-Methylumbelliferone","w/o MS2:aspernigrin A","w/o MS2: (2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Nakijiquinone H","w/o MS2:Nakijiquinone B","w/o MS2:NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one [IIN-based: Match]","w/o MS2:NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based: Match]","w/o MS2:Secnidazole","w/o MS2:2-(3,5-difluorophenyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)acetamide","w/o MS2:NCGC00386012-01_C24H42O11_beta-D-Glucopyranoside, (1S,4R,5R)-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,3,5-trimethylcyclohexyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:Brompheniramine","w/o MS2:Morphine_3_Glucuronide","w/o MS2:INOSINE MONOPHOSPHATE","w/o MS2:Semi-alpha-carotenone","w/o MS2:NCGC00169670-02!(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Methamphetamine","w/o MS2:MMV595321","w/o MS2:MLS002154168-01!Isoflupredone acetate338-98-7","w/o MS2:[Asn9]-Moroidin","w/o MS2: 7-hydroxy-coumarin","w/o MS2:NCGC00385308-01_C26H38O10_","w/o MS2:NCGC00347880-02!2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based: Match]","w/o MS2:Haploside C","w/o MS2:Pesticide4_Acetamiprid_C10H11ClN4_(1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide","w/o MS2:Aminopyrine","w/o MS2:Kalkitoxin","Pilocarpine","NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-","w/o MS2:salvianolic acid B","w/o MS2:NCGC00347609-02!9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one","w/o MS2: ((5aR,5bR,11aR)-9-(cinnamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl cinnamate","w/o MS2:(S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(4-methoxyphenyl)propanamide","w/o MS2:Pantoprazole","w/o MS2:NCGC00381088-01_C42H54O23_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","w/o MS2:Cilnidipine","w/o MS2:Icaritin","w/o MS2:NCGC00380127-01!5,6-dibenzoyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid [IIN-based on: CCMSLIB00000846555]","5-Methyl-3-deoxyuridine","w/o MS2:NCGC00385727-01_C31H40O8_(1R,5R,6R,13R,14R,16S)-6-(3-Furyl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-10-en-14-yl 2-methylpropanoate","w/o MS2:2'-deoxyadenosine","w/o MS2:(3S,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid","w/o MS2:7-methoxy-4-(9,10,12,13-tetramethoxy-3-methyl-4,5-dihydro-3H-phenanthro[1,2-d]azepin-2-yl)-2H-chromen-2-one","w/o MS2:falcarindiol","w/o MS2: SB 205607","w/o MS2:NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate [IIN-based: Match]","w/o MS2:Mellein","w/o MS2:Didecyldimethylammonium","w/o MS2:2'-DEOXYADENOSINE 5'-DIPHOSPHATE","w/o MS2:NCGC00017285-04!HAPLAMINE","w/o MS2:2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","10-HYDROXYDECANOATE","w/o MS2:NCGC00016327-13!4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one [IIN-based on: CCMSLIB00000849010]","w/o MS2: Dihydrokawain","w/o MS2:NCGC00381314-01![3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846625]","Pantothenic acid","w/o MS2:5,7-diacetoxy-3-benzoyloxy-14,15-dihydroxy-8-isobutyryloxy-9-oxojatropha-6(17),11E-diene (9)","w/o MS2:Actinomycin D","w/o MS2:(2R,3R,6R,8R,9S,12S,13R,14R,15R,16R)-6,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.6.1.0?,?.0??,??]hexadec-4-en-11-one","w/o MS2:Alisol B Acetate","w/o MS2:NCGC00180458-02_C18H24O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-","w/o MS2:Lobariolcarboxylic acid (Lobarin)","w/o MS2:3-(4-hydroxyphenyl)-7-methoxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","w/o MS2:alpha-phytol","N-Benzyloxycarbonylglycine","w/o MS2: Rosin","w/o MS2:6,7-dimethoxy-quinazoline-2,4-diol","w/o MS2:Hexosyl LPE 16:0","w/o MS2:HISTAMINE DIHYDROCHLORIDE","w/o MS2:[4,5,8-trihydroxy-5-(hydroxymethyl)-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate","w/o MS2:h_136_a_zearalenol_ni","w/o MS2:13-Oxyingenol dodecanoat","w/o MS2:(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2-(trimethylammonio)ethyl) phosphate","(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-13-(acetyloxy)-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-26-(piperidin-1-yl)-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen...","w/o MS2:3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid","w/o MS2:Hematoxylin","w/o MS2:lamalbid","w/o MS2:2-(3-(8-hydroxyoctyl)phenoxy)-2-methylpropanoic acid","4-Methylphthalic anhydride","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-13-(acetyloxy)-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-26-(piperidin-1-yl)-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen...","w/o MS2:Cymarine","w/o MS2:diosmin","w/o MS2:isobatzelline C","w/o MS2:Cryptomaldamide","w/o MS2:2-[[4-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]amino]-3-hydroxybutanoic acid","w/o MS2:beta-Methylcrotonyl coenzyme A lithium salt","w/o MS2:methyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanoate","w/o MS2:NCGC00381391-01_C11H22O3_1-(2-Hydroxyethyl)-2,2,6-trimethyl-1,4-cyclohexanediol","w/o MS2:NCGC00384596-01!4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid","w/o MS2:gamma-Glu-Cys","w/o MS2: Germbudine","w/o MS2:Ingenol-5,20-acetonide","w/o MS2:NCGC00179845-03!5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one","w/o MS2:MMV675998","w/o MS2:MMV675997","w/o MS2: pachymic acid","w/o MS2:(S)-1-carbamoylpyrrolidine-2-carboxylic acid","L-Carnitine","w/o MS2:C27H40O11; PlaSMA ID-2813","w/o MS2: Eupalinilide B","w/o MS2: monolinolein","w/o MS2: Cholic Acid","w/o MS2:Furostane base + 1O, O-Hex, O-Hex-Hex","w/o MS2:4-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid","w/o MS2:NCGC00384661-01_C18H26O13_Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-, dimethyl ester, (1S,4aS,6R,7R,7aS)-","w/o MS2:(Z)-2-(4-(methoxycarbonyl)benzylidene)-7-(morpholino-4-iummethyl)-3-oxo-2,3-dihydrobenzofuran-6-olate","w/o MS2:NCGC00381111-01_C23H38N4O6_1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N~2~-methylalaninamide","w/o MS2:C9H16O2S; PlaSMA ID-543","w/o MS2:cephalotaxine","Dauricine","w/o MS2:BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE","w/o MS2: Tyramine; PlaSMA ID-59","w/o MS2:MITOMYCIN C","w/o MS2:methyl 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-phenylpropanoate","w/o MS2:NCGC00380425-01!1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one","w/o MS2:2-Hydroxyacetophenone","w/o MS2:NCGC00381118-01_C20H31NO6_Glutamic acid, 1-[5'-hydroxy-2,6'-dimethyl-5-(1-methylethenyl)spiro[cyclopentane-1,3'-[7]oxabicyclo[4.1.0]heptan]-2'-yl] ester","w/o MS2:Linoleyl Carnitine","w/o MS2:7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol","w/o MS2:Phenylethylamine","w/o MS2:L-PIPECOLIC ACID","w/o MS2:[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate","w/o MS2:Amlexanox","w/o MS2: MLS001141084-01!N-[(2S)-3-methyl-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide","w/o MS2:Coproporphyrin I","w/o MS2:Strictosidine","w/o MS2:MMV675993","w/o MS2:securinine","w/o MS2:NCGC00380975-01_C24H26O10_","w/o MS2:NCGC00180860-02_C20H34O3_2-Butene-1,4-diol, 2-[2-[(1S,8aR)-1,4,4a,5,6,7,8,8a-octahydro-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)-","w/o MS2: Desoxypeganine","w/o MS2:acanthoside B","w/o MS2: 2-(21-amino-3,20-dihydroxydocosan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:C13H10O; PlaSMA ID-515","w/o MS2:N-((7S)-10-((1-(4-((4-hydroxyquinazolin-2-yl)methyl)piperazin-1-yl)-4-methyl-1-oxopentan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:NCGC00385679-01_C24H28O13_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-","w/o MS2:NPE_228.1019_12.4","Emetine Hydrochloride","w/o MS2: Viridiflorine","w/o MS2:Alpha-Ergocryptine","w/o MS2:N-(1-(2-amino-2-oxoethyl)piperidin-4-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide","w/o MS2:2-[1-[1-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one","w/o MS2:[(6Z,10Z)-6-(acetyloxymethyl)-10-(hydroperoxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate","Cimicidanol-3-O-alpha-L-arabinoside","w/o MS2:2-methyl-2-(3-pentadecylphenoxy)propanoic acid","w/o MS2:FR130739","w/o MS2:Lofepramine","w/o MS2:Cucurbitacin B","w/o MS2:BUTYL PARABEN","w/o MS2:N-(n-octyl)-2-pyrrolidinone","w/o MS2:Gibberellic acid GA3","w/o MS2:NCGC00169031-03![6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based on: CCMSLIB00000845461]","w/o MS2:GAMBOGIC ACID","w/o MS2:Pesticide3_Diethofencarb_C14H21NO4_Powmil","w/o MS2:Antimycin A4","w/o MS2:NCGC00015645-08!N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide [IIN-based on: CCMSLIB00000848580]","w/o MS2:MMV675969","w/o MS2: NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate","w/o MS2:methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate","w/o MS2:Pteryxin","w/o MS2:Antimycin A1","w/o MS2:CYTOSINE","w/o MS2:Pirimicarb-desamido","w/o MS2:Antimycin A2","w/o MS2: Erythromycin; LC-ESI-QTOF; MS2; CE","Oleoyl Ethanolamide","w/o MS2: 7,8-Didehydroastaxanthin; FAB-EBEB; MS2; m/z","w/o MS2:Malyngamide J","w/o MS2:Hexazinone","w/o MS2:(9S)-ethyl 6-(4-((tert-butoxycarbonyl)oxy)benzyl)-2,2,9-trimethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oate","w/o MS2:NCGC00384765-01_C20H32O9_(1beta,2alpha,4xi,5xi,9xi,11alpha,12alpha,13xi,15beta)-1,2,4,11,12,14,15-Heptahydroxypicrasan-16-one","w/o MS2:L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-L-cysteinyl-glycine","w/o MS2:3'-Deoxycapsanthin","w/o MS2:NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based: Match]","w/o MS2:[(3R,4S,8S,8aS)-3-hydroxy-6,8a-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate","w/o MS2:NCGC00384978-01_C44H68O16_(2S,3R)-3-[(2'R,3S,4b'R,7'S,10a'R)-7'-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl acetate","w/o MS2: taurocholic acid","w/o MS2: Thermopsine","w/o MS2: Miltirone","w/o MS2:Cyprodinil-TP CGA 249287","w/o MS2:Fluometuron","Homoharringtonine","w/o MS2:5-(5-methoxycarbonyl-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid","w/o MS2: galanthamine","w/o MS2: andrographolide","w/o MS2:2'-Deoxyuridine-5'-triphosphate sodium salt","w/o MS2:C45H71NO14; PlaSMA ID-3382","w/o MS2:(2S,3R,4S,5S,6R)-2-[4-[(3R,4S)-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Piperine","w/o MS2:Kaempferol-3,7-O-bis-alpha-L-rhamnoside","w/o MS2:desferrichrome","w/o MS2:methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","w/o MS2:NCGC00381162-01_C11H18O5_(4S,5S,10R)-4-Hydroxy-5-methoxy-10-methyl-2,7-oxecanedione","w/o MS2:3,3-pentamethylene-4-butyrolactam","w/o MS2:11,12,13-trihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-1H,2H,3H,4H,6aH,9H,10H,11H,12H,13H,14H,15H,15bH-cycloundeca[e]isoindole-1,15-dione","w/o MS2:\"(3R,5S,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol\"","w/o MS2:MMV393995","w/o MS2:NCGC00380973-01_C21H30O6_","w/o MS2: (S)-4-methyl-2-(1H-pyrrol-1-yl)pentanoic acid","w/o MS2:Indole-3-acetyl-L-phenylalanine","w/o MS2:2-[1-[4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]indol-3-yl]acetic acid","w/o MS2:NCGC00380903-01!2-hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid","w/o MS2:\"NCGC00160314-01!1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinolinyl-8,12dihydro-5,6-epoxy-2-hydroxyalantolactone\"","w/o MS2:Cysteine","w/o MS2:[1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate","w/o MS2:\"(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","w/o MS2:Carbofuran","w/o MS2:Dicaffeoyl quinic acid","w/o MS2:MGDG (18:4/18:4)_(2S)-1,2-bis-O-(6Z,9Z,12Z,15Z-octadecatetranoyl)-3-beta-D-galactopyranosyl-sn-glycerol","w/o MS2:Cleviprex (Clevidipine)","w/o MS2:NCGC00025125-21!N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide [IIN-based on: CCMSLIB00000845970]","w/o MS2: NCGC00160225-01!SONGORINE N-OXIDE","w/o MS2:N-ACETYL-L-PHENYLALANINE","w/o MS2:\"2,5,8,9-tetracetoxy-15-hydroxy-3-benzoyloxyacetoxy-7-isobutyroyloxy-14-oxojatropha-6(17),11E-diene\"","w/o MS2:(S)-2-(3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoyl)-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","w/o MS2:5-Methoxytryptophol","w/o MS2:Procyanidin C1","w/o MS2: 19-O-Methylsiphonaxanthin; FAB-EBEB; MS2; m/z","w/o MS2:(1R,2R,4aS,6aS,6bR,9R,10R,11R,12aR)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:(S)-methyl 2-((2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxamido)-3-methylbutanoate","w/o MS2:NCGC00380273-01_C43H66O16_beta-D-Glucopyranose, 1-O-[(3beta,5xi,9xi)-3-(beta-D-glucopyranuronosyloxy)-30-methoxy-28,30-dioxoolean-12-en-28-yl]-","w/o MS2:h_78_metenolone","w/o MS2:Secoisolariciresinol Diglucoside","w/o MS2:Triethylcitrate","w/o MS2:methyl (1S,5S,9S,10R,15R)-15-(acetyloxy)-8-hydroxy-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0?,??.0?,??.0?,?]nonadeca-3,7-diene-9-carboxylate","w/o MS2:(2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-...","w/o MS2:Deoxycholic acid","w/o MS2:NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate","N-(4-((6aR,8aS)-4-hydroxy-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-yl)-2-methylbutyl)acetamide","w/o MS2:Denatonium_TP222","w/o MS2:Angeloylgomisin H","w/o MS2:Tiamulin","w/o MS2:Angeloylgomisin O","w/o MS2:NPE_241.1335_10.3","w/o MS2:NCGC00381135-01_C36H50O12_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-4,5-bis[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0~1,6~]dodec-7-yl benzoate","w/o MS2:DL-mandelic acid","w/o MS2:NCGC00385521-01![1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based: Match]","w/o MS2:Norfentanyl","w/o MS2:NCGC00380816-01_C11H20O7_","w/o MS2:NCGC00380646-01!(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid [IIN-based on: CCMSLIB00000845558]","w/o MS2:NCGC00384943-01_C38H53NO11_(3alpha,5beta,9beta,10alpha,14beta)-3-Acetoxy-14-(2,4-dihydroxy-5-oxo-2,5-dihydro-3-furanyl)-15-{[(2R,5R,6S)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8,13-dimethylpodocarp-12-en-16-yl 5-methyl-1H-pyrrole-2-carboxylate","w/o MS2:Cearoin","w/o MS2:NCGC00381184-01_C15H20O9_","w/o MS2:Fructose 1,6-diphosphate","w/o MS2:Hypoxanthine","w/o MS2:Isoleucylserine; PlaSMA ID-818","w/o MS2:Veratroylzygadenine","w/o MS2:(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one","w/o MS2:_130141","w/o MS2:_130142","w/o MS2:1-Oleoylglycerophosphocholine","w/o MS2:NCGC00380581-01_C26H38O8_(4a'R,5'S,6'R,6a'S,7'R,10a'R,10b'R)-6'-Acetoxy-4a',6a',10b'-trimethyl-5-oxododecahydro-2'H-dispiro[furan-3,3'-benzo[f]chromene-7',2''-oxiran]-5'-yl 2-methylpropanoate","w/o MS2:_130146","w/o MS2:11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one","w/o MS2:Biperiden hydrochloride","w/o MS2:1-phenylisoquinoline","w/o MS2:Heptanoic acid","w/o MS2:Alpha-Hydroxydeoxycholic Acid","w/o MS2:Alitame","w/o MS2:NCGC00385384-01![(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate [IIN-based on: CCMSLIB00000848395]","w/o MS2:5-acetamido-2-(acetoxymethyl)-6-((4-cyclopentyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)tetrahydro-2H-pyran-3,4-diyl diacetate","w/o MS2:[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] benzoate","w/o MS2: Salicyclic acid","w/o MS2:Pesticide4_Oxadixyl_C14H18N2O4_","w/o MS2:MLS001076155-01!6ALPHA-METHYL-11BETA-HYDROXYPROGESTERONE","w/o MS2:NCGC00168839-02!(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","w/o MS2:Phosphatidylethanolamine (22:0/16:1) Abbr: BPoPE","w/o MS2:NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate","w/o MS2:Sucrose","w/o MS2:Glabrol","w/o MS2: Bullatine B","w/o MS2:NCGC00385360-01_C36H56O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,19,24-tetrahydroxy-24,28-dioxoolean-12-en-28-yl]-","w/o MS2:h_118_4_hydroxytestosterone","w/o MS2: 6,7-dimethoxy-1-phenyl-8H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-8-one","w/o MS2:NCGC00385070-01!","w/o MS2:h_140_tibolone_3aoh","w/o MS2: Bullatine G","w/o MS2:Serylleucine","w/o MS2:Corynanthin","glycitin","w/o MS2: (9Z,12Z)-N-Benzyloctadeca-9,12-dienamide","w/o MS2:(4aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:Orbencarb","w/o MS2:Tomatidine HCl","w/o MS2: CUDA* (internal standard)","w/o MS2:Petunidin","w/o MS2:(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid","w/o MS2:DEET","w/o MS2:NCGC00381234-01_C48H74O19_6-Deoxyhexopyranosyl-(1->4)-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]hexopyranose","w/o MS2:Levodopa","w/o MS2:NCGC00385799-01_C28H36O10_2-Hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0~1,17~.0~4,16~.0~6,14~.0~8,12~]tricosa-6(14),7,12-trien-18-yl acetate","w/o MS2:NCGC00381219-01![3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate","w/o MS2:2-Deacetoxy taxinine B","w/o MS2:3-Methylthiopropylamine","w/o MS2:(Z)-9-(3-hydroxy-4-methoxyphenyl)-2-(2,4,5-trimethoxybenzylidene)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[benzyl(methyl)amino]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl ...","w/o MS2:NCGC00380812-01!3-(4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid","w/o MS2:NCGC00380706-01_C20H26O6_(2'R,3R,4'R,4a'R,5S,8a'S)-5-(3-Furyl)-4'-hydroxy-4a',5'-bis(hydroxymethyl)-2'-methyl-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalen]-2-one","w/o MS2: Ursocholanic Acid","w/o MS2:Norcocaine","w/o MS2:Triethylene glycol monomethyl ether","w/o MS2:NCGC00384522-01! [IIN-based on: CCMSLIB00000848853]","DEOXYADENOSINE MONOPHOSPHATE","w/o MS2:Laurocapram","w/o MS2:D-(+)-GALACTOSAMINE","w/o MS2:Okadaic acid","w/o MS2:Metsulfuron-methyl","w/o MS2: Vecuronium; LC-ESI-QTOF; MS2; CE","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,9S,10R,11R,12aR)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2:Austin","w/o MS2:Methylophiopogonanone A","w/o MS2:1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol","w/o MS2:15'-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-7'-hydroxy-8',12'-dimethyl-6'-oxaspiro[oxolane-3,5'-pentacyclo[9.8.0.0?,?.0?,?.0??,??]nonadecane]-5-one","w/o MS2:Irinotecan","w/o MS2:(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol","w/o MS2:Moroidin-[QLLVWRSH]","w/o MS2:Anabasamine","w/o MS2:_130131","w/o MS2:QUINIDINE GLUCONATE","w/o MS2:Irisxanthone","w/o MS2:(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one","w/o MS2:INDOLE-3-ETHANOL","w/o MS2:Lotaustralin","w/o MS2:5-[(E)-3-hydroxybut-1-enyl]-4-[4-[(E)-3-oxobut-1-enyl]anilino]oxolan-2-one","w/o MS2:NCGC00380826-01![1-(3,4-dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-yl] acetate","w/o MS2:Aurantiamide acetate","w/o MS2:1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(2-methylpropanoyl)oxy]-5-oxotetracyclo[8.5.0.0?,?.0??,??]pentadeca-3,8-dien-13-yl 2-ethylbutanoate","w/o MS2:Oxiconazole","w/o MS2:1-isopropyl-1,2,3,4,-tetrahydro-beta-carboline-3-carboxylic acid","w/o MS2:NCGC00386029-01_C14H20O8_2-Hydroxy-4-(2-hydroxyethyl)phenyl beta-D-glucopyranoside","w/o MS2:NCGC00385005-01! [IIN-based on: CCMSLIB00000846176]","w/o MS2:NCGC00180747-02!5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848900]","w/o MS2:Huperzine A","w/o MS2:Huperzine B","w/o MS2:2-[1-[1-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-(hydroxymethyl)-5-methyl-2,3-dihydropyran-6-one","Isoleucine","8-Deacetyl yunaconitine","Glycyl-L-proline","w/o MS2:Furosemide","w/o MS2: 1-(9-hydroxy-2-isopropyl-10-(2,3,4-trimethoxyphenyl)pyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(2H,7H,10H)-yl)ethanone","w/o MS2:Triflusulfuron-methyl","w/o MS2:3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,9R,10R,11S,12aR)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2:NCGC00385693-01_C32H48O8_Propanedioic acid, mono[12-(acetyloxy)-4,4,8,10,14-pentamethyl-17-(tetrahydro-2-methyl-5-oxo-2-furanyl)gonan-3-yl] ester","w/o MS2:Tyramine-betaxanthine","w/o MS2:Diphenamid","w/o MS2:Acetylcimigenol arabinoside","w/o MS2:Tricaproin (C6:0)","w/o MS2:roemerine","w/o MS2:(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3(2H)-one","w/o MS2:[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate","w/o MS2:Myxovirescin C","w/o MS2:L-Threonine","w/o MS2:DSGEGDFXAEGGGVR","w/o MS2:(3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl dodecanoate","w/o MS2:Ergosterol Acetate","w/o MS2: isoabienol","w/o MS2:Dihomo-?-linolenic acid (DGLA; cis-20:3n-6)","w/o MS2:Premycofactocinol","w/o MS2:(R,E)-6-acetyl-2-(1-((2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)amino)ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione","w/o MS2:phosphatidylethanolamine (15:0/16:0)","w/o MS2:Melophlin A/E/F/Q/R/S","w/o MS2:NCGC00380125-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846563]","N,N-dimethyl-7H-purin-6-amine","w/o MS2:Melophlin D/H/I/J","w/o MS2:NCGC00380136-01!1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione","w/o MS2:HXGXA","w/o MS2: 6-hydroxy-7-methyoxyscytophycin E","w/o MS2:NCGC00169378-02!(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide [IIN-based on: CCMSLIB00000845287]","w/o MS2:Imperialine","w/o MS2:N(PAI)-METHYL-L-HISTIDINE","w/o MS2:Diphenoxylate","w/o MS2:NCGC00380554-01_C22H38O10_2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","w/o MS2: Erythromycin (E-Mycin)","w/o MS2:NCGC00385739-01_C48H76O20_(3beta,5xi,9xi,22beta)-22,24,29-Trihydroxy-29-oxoolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","w/o MS2:NCGC00180394-02!(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847722]","w/o MS2:2-(5-methoxy-1H-indol-3-yl)acetic acid","w/o MS2:NCGC00169536-02!2,3-dihydroxypropyl 3-hydroxytetradecanoate","w/o MS2:NCGC00169692-02!1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one [IIN-based on: CCMSLIB00000845261]","w/o MS2: MLS001148124-01!","w/o MS2: 3-Deshydroxysappanol Trimethyl Ether","w/o MS2: (3aS,3a1S,10bR)-3a-ethyl-5-(methoxycarbonyl)-13-methyl-1,2,3,3a,3a1,4,6,11,12,13-decahydroindolizino[8,1-cd]carbazol-13-ium chloride","w/o MS2:Sudan IV","w/o MS2:(2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Corydaline","w/o MS2:NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000845587]","w/o MS2:Celogentin C","w/o MS2:(6S,6aS,13S,13aR)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-2,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1-carboxamide","w/o MS2:MMV022029","w/o MS2:ARTEMISIN","Kynurenine","w/o MS2:NCGC00347778-02_C34H52O12_1,5,16-Trihydroxy-26-oxo-6,7:22,26-diepoxyergost-24-en-3-yl hexopyranoside","w/o MS2:h_43_17_epimethanedienone","NCGC00381359-01_C14H18N2O3_Phenylalanine, prolyl-","w/o MS2:NCGC00385192-01_C29H36O6_(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate","w/o MS2:beta-TOXICAROL","w/o MS2:(1s)-1,5-anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-d-glucitol","w/o MS2:Argemonine","w/o MS2:10-HYDROXYDECANOATE","w/o MS2:(9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate","w/o MS2:[(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-phenylprop-2-enoate","w/o MS2:NCGC00169863-02!(10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid","w/o MS2:NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate","w/o MS2:C13H20N2O3; PlaSMA ID-1082","w/o MS2:Flavone base + 4O, O-MalonylHex","w/o MS2:C13H20N2O3; PlaSMA ID-1081","Choline","w/o MS2:Kaempferol 3-glucuronide","w/o MS2:PIPERINE","w/o MS2:Lividic acid","w/o MS2:methyl 2-[(4aR,5R,6R,7S,8aR)-8a-ethenyl-5,7-dihydroxy-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-6-yl]prop-2-enoate","w/o MS2:Vincristine","w/o MS2:Gabapentin (Neurontin)","w/o MS2:1,2,3,4-tetrahydro-6-methoxy-1-oxo-beta-carboline","w/o MS2: glycohyocholic acid","w/o MS2:eupomatenoid 5","w/o MS2:Indigo Carmine","w/o MS2:NCGC00347516-02!methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate","w/o MS2:NCGC00385919-01_C20H34O_2-Penten-1-ol, 5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-, (2E)-","w/o MS2:Pesticide1_Dicrotophos_C8H16NO5P_(2E)-4-(Dimethylamino)-4-oxo-2-buten-2-yl dimethyl phosphate","w/o MS2:Tonantzitlolone B","w/o MS2:Tonantzitlolone A","w/o MS2:Leucine butyl ester","w/o MS2: (3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-cyclohexylpropanoate","w/o MS2:8-acetyl-5,7-dimethoxy-2,2-dimethylchromene","w/o MS2:NCGC00380959-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate [IIN-based on: CCMSLIB00000846747]","w/o MS2:debromoaplysiatoxin","w/o MS2: Tobramycin, N-propionyl derivative likely","w/o MS2:cirsimarin","w/o MS2:(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","w/o MS2:Bufotenine","w/o MS2:Cytosine","w/o MS2:1-Cyclohexylpyrrolidin-2-one","w/o MS2: Chasmanine","w/o MS2: (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5,14-diethyl-2,11,20,23-tetramethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.1?,??.1??,??]triacontane-3,12,21-trione","w/o MS2:NCGC00380543-01![(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]","w/o MS2:3',4',7-Trihydroxyflavanone","w/o MS2:Makaluvone","w/o MS2:Methyleugenol","w/o MS2:Chalcone base + 3O, 1MeO, 1Prenyl","w/o MS2:4-Methylpyrazole","w/o MS2:NCGC00384523-01_C29H44O9_Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-14-hydroxy-, (3beta,9xi)-","w/o MS2:DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d5)","w/o MS2:NCGC00347519-02_C24H36O8_Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (1S,2R,4aR,8aR)-1-(acetyloxy)decahydro-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester","w/o MS2: Bryodulcosigenin","w/o MS2:NCGC00347722-02!(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","w/o MS2: N-[5-[[4-[4-[acetyl(hydroxy)amino]butylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide","w/o MS2:\"2-((4R)-4-((5S,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid\"","w/o MS2: 9-stearolic acid","w/o MS2:NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849029]","w/o MS2:Rosin","w/o MS2:NCGC00385378-01_C31H42O10_7aH,13aH-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 11-(acetyloxy)-1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-3a,11a-dihydroxy-9,15a-dimethyl-, (1R,3aS,3bR,6aR,7aS,9R,11S,11aS,12aR,13aR,15aR)-","w/o MS2:beta-Hydroxyisovaleric acid","w/o MS2:Fentanyl","w/o MS2:((1'R,2'R,5'R,6'S,8a'S)-6'-(benzoyloxy)-5-(2-(benzoyloxy)ethyl)-2',5',8a'-trimethyldecahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl)bis(methylene) dibenzoate","w/o MS2:Benzylglucosinolate","w/o MS2:apigenin-7-O-glucoside","w/o MS2:1-PHENYLETHANOL","w/o MS2:NCGC00179126-03_C28H34O7_(6R,6aS,6bR,7aS,10S,10aS,12bR)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate","NCGC00385669-01!(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid","w/o MS2:Methyl 3-aminopyrazine-2-carboxylic acid; CE0; INCSQLZZXBPATR-UHFFFAOYSA-N","w/o MS2:Neotame","w/o MS2:(2E,4E)-1-[(1R,3S,8R,10S,14S)-12-[(2E,4E)-hexa-2,4-dienoyl]-1,6,8,13-tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.0?,?.0?,??.0?,??]tetradeca-5,12-dien-5-yl]hexa-2,4-dien-1-one","w/o MS2:NCGC00385398-01!2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid [IIN-based: Match]","w/o MS2:N-(3-(4-bromo-10-methoxy-7-methyl-6,7-dihydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]azepine-8-carbonyl)phenyl)-2-(4-methoxyphenoxy)acetamide","w/o MS2:3-hydroxy-N-((6R,9R,12R,15R,18S,23aS)-22-hydroxy-18-isobutyl-2,3,3,5,9,11-hexamethyl-6-(3-methylbutan-2-yl)-1,4,7,10,13,16,19-heptaoxo-12-phenyldocosahydropyrrolo[1,2-g][1,4,7,10,13,16,19]oxahexaazacyclohenicosin-15-yl)picolinamide","w/o MS2:Kalopanaxsaponin H","w/o MS2:Derrusnin","w/o MS2:Nakijiquinone R","w/o MS2:NCGC00169462-02!17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based: Match]","w/o MS2: trans-Zeatin","w/o MS2:HYOSCYAMINE","w/o MS2:ABAMECTIN","w/o MS2:Fluocinonide","w/o MS2:Rhizocarpic Acid","w/o MS2:CORTISOL","w/o MS2:Oxysophocarpine","w/o MS2: NCGC00179704-03!2-(8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid","w/o MS2:delta-Decalactone","w/o MS2:Yohimbic Acid","w/o MS2:8-Acetylharpagide","w/o MS2:NCGC00381101-01_C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside","w/o MS2:Droperidol","w/o MS2:Coelichelin","w/o MS2:Norvaline","w/o MS2:NCGC00380476-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000845758]","Salvianolic acid A","w/o MS2:3-oxo-C9-HSL","w/o MS2:Cycloxydim","w/o MS2:NCGC00347381-02!(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde [IIN-based: Match]","w/o MS2:tomatidine","w/o MS2:hydroquinidine","w/o MS2:7-Deacetylkhivorin","w/o MS2:Cumyluron","w/o MS2: MONENSIN SODIUM (monensin A is shown)","w/o MS2:putative analog of trichodinA","w/o MS2:NCGC00385225-01_C18H17NO5_L-Tyrosine, N-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-","w/o MS2:Imidacloprid-guanidine","w/o MS2:2',4',11-trioxaspiro[tricyclo[4.4.1.0?,?]undecane-2,3'-tricyclo[7.3.1.0?,??]tridecane]-1'(12'),3,5',7',8,9'(13'),10'-heptaene-5,7,10-triol","w/o MS2:(4R,8S)-17-chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.0?,??.0?,?.0??,??]icosa-1(12),2,5,10,14,16,18-heptaen-20-one","w/o MS2:NCGC00384814-01_C19H34O9_beta-D-Glucopyranoside, 3,6-dihydroxy-3-[(1E)-3-hydroxy-1-buten-1-yl]-2,4,4-trimethylcyclohexyl","w/o MS2:NCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioate","w/o MS2: (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0?,?.0?,??.0?,??.0??,??.0??,??]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one","w/o MS2:NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one","w/o MS2:3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5-tetrahydroindol-6-one","w/o MS2:Fenthion-sulfone","w/o MS2:Pyrenocine B putative","w/o MS2:Carminomycin I","w/o MS2:methyl (4aR,6S,7R,7aS)-4a,7-dihydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","w/o MS2:Erythrin","w/o MS2:\"2-((4R)-4-((3R,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid\"","w/o MS2:1-(4-oxo-4h-chromen-3-yl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid","w/o MS2:Nadifloxacin","w/o MS2:Gartanin","w/o MS2:NCGC00380934-01_C25H30O13_(2S,3R,4S)-4-(2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}ethyl)-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid","w/o MS2:(2S,3R,4S,5R)-2-{[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0?,??.0?,??.0?,??.0?,??.0??,??]tetracos-4-en-9-yl]oxy}oxane-3,4,5-triol","w/o MS2:2-hydroxy-4-(hydroxymethyl)-6-(1-hydroxy-3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one","w/o MS2:NCGC00381404-01_C14H22O3_2-Naphthalenecarboxylic acid, 3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-5,5,8a-trimethyl-","w/o MS2: Phosphatidylethanolamine (16:0/18:2) Abbr: PLPE","w/o MS2:Nicotinoylcholine","w/o MS2:NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based: Match]","w/o MS2:N-lauroylsarcosine","w/o MS2:NCGC00385798-01_C31H43N7O6_","w/o MS2:NCGC00169103-03_C19H18O6_Benz[3,4]anthra[1,2-b]oxirene-5,6-dione, 1a,2,3,4,5b,11,11a,11b-octahydro-10,11,11a-trihydroxy-3-methyl-","w/o MS2:Methimazole","w/o MS2:gamma-Glutamylleucine","w/o MS2:2-hydroxyacetanilide","w/o MS2:3-(6-methoxy-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-methylpyrrolidine-2,5-dione","w/o MS2:7,8-Dihydroparasiloxanthin","w/o MS2:tsas#9","w/o MS2:Nafcillin Sodium","w/o MS2:NCGC00384635-01_C27H34O8_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl](hydroxy)acetate","w/o MS2:NCGC00384759-01!5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one [IIN-based: Match]","3-(dimethyl(3-((4R)-4-((3R,7R,12S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)ammonio)-2-hydroxypropane-1-sulfonate","w/o MS2:Rutaecarpine","w/o MS2:NCGC00180698-03!(2S)-2-[(1S)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid","w/o MS2:(2S)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)-4-(methylthio)butanamide","w/o MS2:(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid","w/o MS2: (S)-3-amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid","w/o MS2:AM-251","w/o MS2:NCGC00380976-01_C28H42N2O7_(4E,10E)-13,20-Dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate","w/o MS2: Praziquantel; LC-ESI-QTOF; MS2; [M+H]+; CE","w/o MS2:4-(Methylsulfinyl)butylglucosinolate","w/o MS2:[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine","w/o MS2:N-ACETYLLEUCINE","w/o MS2:S4:16(P3:14/F1:2)","w/o MS2:Duguesuramine","w/o MS2:Vatiamide A","w/o MS2:2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid","w/o MS2:Paclobutrazole","w/o MS2:Triacylglycerol 13:0-16:0-18:0","w/o MS2:Hexamethylquercetagetin","w/o MS2:Ranolazine","w/o MS2:Phillygenin","w/o MS2:NCGC00347593-02!2-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one [IIN-based: Match]","w/o MS2:NCGC00380159-01_C33H52O13_","w/o MS2:[(1R)-1-[(2S,4aR,4bS,7S,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate","w/o MS2:Pseudoginsenoside RT5","Bullatine B","w/o MS2:D-Glucosamine-6-phosphate","Warfarin; LC-ESI-ITFT; MS2; CE","w/o MS2:Hydrocinnamic acid","w/o MS2:Milrinone","w/o MS2:NCGC00380438-01_C30H36O14_","w/o MS2: MLS002154187-01!Benoxinate hydrochloride5987-82-6","w/o MS2:Sphingosine (C17 base)","w/o MS2:N-ACETYLGLUCOSAMINE","w/o MS2:NCGC00380673-01!4-[1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol","w/o MS2:phenylalanine conjugated chenodeoxycholic acid","w/o MS2: Dihydrosphingosine","3,5,6,7,8,3',4'-Heptamethoxyflavone","w/o MS2:Leucine conjugated chenodeoxycholic acid","w/o MS2:2-[(5S,8R,11S,12S,13S,21R)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis(3,4,5-trihydroxybenzoyloxy)-7-[(3,4,5-trihydroxybenzoyloxy)methyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.1?,?.0??,??]henicosa-1(20),16,18-trien-11-yl]acetic acid","Crassicauline A","w/o MS2:MMV023227","w/o MS2:2-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile","w/o MS2:2,4-bis(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol","w/o MS2:PYRIDOXINE","w/o MS2:Dipyrithione","w/o MS2:Secobarbital","w/o MS2:Baimaside","w/o MS2: NCGC00160280-01!N-methyl-metacryloyl-lupinine","w/o MS2:3,3',4',7-tetrahydroxyflavylium chloride","w/o MS2: Irgarol; LC-ESI-ITFT; MS2; CE","Indole-3-carbinol","w/o MS2: NCGC00385995-01!1-methyl-2-tridecylquinolin-4-one","w/o MS2:1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine","w/o MS2:Fluvoxamine maleate","w/o MS2:(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid","w/o MS2:Mesaconine","w/o MS2:Roxithromycin","Crotetamide","w/o MS2:Kitasamycin","w/o MS2:Mebeverine","w/o MS2:Retinoic acid","w/o MS2:Acetaminophen","w/o MS2:Di(2-methoxyethyl) phthalate","w/o MS2:Thymidine-5'-diphosphate sodium salt","w/o MS2: (1'S,2'S)-3',11'-dihydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0?,?]dodecan]-5'-en-4'-one","w/o MS2: Metamitron; LC-ESI-ITFT; MS2; CE","w/o MS2:Asenapine","w/o MS2:Ophiopogonin D'","(2R)-6-methylpiperidine-2-carboxylic acid","w/o MS2:3-(5-phenylthiophen-2-yl)prop-2-ynyl Acetate","w/o MS2:NCGC00347656-02!(E)-4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybut-3-enoic acid","w/o MS2:1,4-Cyclohexanedione","w/o MS2:Sodium Tetradecyl Sulfate","w/o MS2:dimethyl(tetradecyl)amine","w/o MS2:Royal jelly acid","w/o MS2:[2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate","w/o MS2:Disorazole B3","w/o MS2:Fenpropidin","w/o MS2:desferrioxamine-D3","w/o MS2:Tributylamine","w/o MS2:NCGC00179944-04_C42H70O14_(24Z)-26-(Hexopyranosyloxy)-1,21-dihydroxy-9,19-cyclolanost-24-en-3-yl hexopyranoside","w/o MS2:Physostigmine","w/o MS2:3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-((dimethylammonio)methyl)-4-oxo-4H-chromen-7-olate","w/o MS2:trimethyl(2-{[3-[octadeca-9,12-dienoyloxy]-2-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium","w/o MS2:MMV054312","w/o MS2:Dopamine","w/o MS2:NCGC00380568-01!2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol","w/o MS2:1,1,2-Trimethyl-1H-benzo[e]indole","w/o MS2:Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether","w/o MS2:Picrinine","w/o MS2:\"(4R)-4-((3S,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","w/o MS2:Valine conjugated cholic acid","w/o MS2:Ethyl caffeate","w/o MS2:(S,S)-asperphenamate","w/o MS2:Argopsin","w/o MS2:Carboline metabolite (C26H30N2O10)","w/o MS2:D-(+)-Arabitol","w/o MS2:Milbemycin A3","w/o MS2:Milbemycin A4","w/o MS2:8-acetamido-2-methyl-7-oxononanoic acid","w/o MS2:Pesticide4_Spiroxamine Isomer 1*_C18H35NO2_N-Ethyl-N-{[8-(2-methyl-2-propanyl)-1,4-dioxaspiro[4.5]dec-2-yl]methyl}-1-propanamine","w/o MS2:18alpha-glycyrrhetinic acid","w/o MS2:Kaempferol-3-O-glucoside-6''-p-coumaroyl","w/o MS2:5,7-diacetoxy-3-benzoyloxy-14,15-dihydroxy-8-(2-methylbutyryloxy)-9-oxojatropha-6(17),11E-diene","w/o MS2:Senecionine","w/o MS2:L-KYNURENINE","w/o MS2:DAPT (GSI-IX)","w/o MS2:MLS000876956-01!","w/o MS2: NCGC00385862-01_C15H26O2_(1S,4R)-7-Isopropyl-1,4-dimethyl-1,2,3,3a,4,5,6,8a-octahydro-1,4-azulenediol","w/o MS2:phenylethylamide 359","w/o MS2:Melophlin M","w/o MS2:MMV032995","(3S,6S,6aR,7R,7aR,8S,9R,10S,11aR,12R,13S,14R)-1-ethyl-3-(hydroxymethyl)-6,8,10,13-tetramethoxytetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-11a,12-diol","w/o MS2:Lanciferine","w/o MS2:NCGC00380514-01!(2S,3R,4S,5S,6R)-2-[4,6-dihydroxy-2-nonyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000847345]","w/o MS2:Erlotinib HCl","w/o MS2:7-Diethylamino-4-methylcoumarin","w/o MS2:Cocamidopropyl betaine","w/o MS2: NCGC00385245-01!(2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide","w/o MS2:NCGC00179823-03![14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate [IIN-based on: CCMSLIB00000846326]","w/o MS2:Acaciin","w/o MS2:N-(4-Hydroxyphenyl)arachidonoyl?amide","w/o MS2:methyl 1-oxo-4-(1H-pyrrol-2-yl)-2H-isoquinoline-3-carboxylate","w/o MS2: NCGC00160284-01!6-HYDROXYIMINO-IMPERIALINE","w/o MS2:N-Methylisoleucine","w/o MS2:D-(-)-Erythrose","w/o MS2:MLS002207185-01!Ile-Pro-Ile90614-48-5","w/o MS2: Dehydrophytosphingosine (not validated, isomer of 1679); PlaSMA ID-1677","w/o MS2:Resmethrin","w/o MS2: NCGC00347509-02!(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,11,15,19,23,27,31-heptol","w/o MS2:NCGC00385389-01_C37H56O10_(2S,4aR,5aR,7R,7aR,8R,12aS,12bS,14aR)-1,1,5',7a,8,12a-Hexamethyl-2-(D-xylopyranosyloxy)hexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate","w/o MS2:Octadecanedioic acid","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-(4-benzylpiperidin-1-yl)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-...","w/o MS2:(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide","w/o MS2:(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one","w/o MS2:2,5,8-trihydroxy-3-methyl-6,7-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)naphthalene-1,4-dione","w/o MS2:Octyl gallate","w/o MS2:ADRENALINE BITARTRATE","w/o MS2:NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based on: CCMSLIB00000847990]","w/o MS2:(2R,3R,4S,5S,6R)-2-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","b-Orcinolcarboxylic acid","w/o MS2:2-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3-(2-cyclopentylethyl)-1H-1,2,4-triazol-5-yl)-3-methylpentanamide","w/o MS2:verruculotoxin","w/o MS2:Phthalic acid","w/o MS2:Methylprednisolone","w/o MS2:3-Hydroxypyridine; CE0; GRFNBEZIAWKNCO-UHFFFAOYSA-N","w/o MS2:2-[(3R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]pentanedioic acid","w/o MS2:7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1?,?.0?,??.0?,?.0??,??.0??,??]docos-13-ene-4,8,15-trione","w/o MS2:3Beta-Hydroxydeoxodihydrodeoxygedunin","w/o MS2:urocanic acid","w/o MS2:2-(4-hydroxyphenyl)ethyl (1S,4aR,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","w/o MS2:Ramipril (Altace)","w/o MS2:Minoxidil","w/o MS2: delta-tocopherol","w/o MS2:Quinic acid","w/o MS2:NCGC00169062-03!","w/o MS2:[6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:NCGC00380576-01_C22H32O5_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)-","w/o MS2:Gabexate","Phenylbenzimidazolesulfonic acid; LC-ESI-ITFT; MS2; CE","w/o MS2:Methotrexate","w/o MS2:6-formyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate","w/o MS2:2-Aminoanthraquinone","w/o MS2:C15H22N2O7S; PlaSMA ID-2088","w/o MS2:(4aS,6aR,6bR,10S,12aR)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid","w/o MS2:Retrorsine","w/o MS2:NCGC00384708-01![5-hydroxy-2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate","w/o MS2:Ametryn","w/o MS2:Ifenprodil","w/o MS2:Deferrioxamine E","w/o MS2:(1s,5s)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one","w/o MS2: MMV024829","w/o MS2:Buprenorphine","w/o MS2: Enhydrin","w/o MS2: 3,4',5,6,7-Pentamethoxyflavone","w/o MS2:Bradykinin fragment 1-7","w/o MS2:Kumatakenin","w/o MS2:NCGC00163663-02!","w/o MS2:Benzamidine hydrochloride hydrate","w/o MS2:Mycosporine glutaminol","w/o MS2:SR271425","w/o MS2:NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid [IIN-based on: CCMSLIB00000847991]","w/o MS2:Tuberostemonine","w/o MS2:3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","w/o MS2:[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 4-acetyloxy-3-hydroxy-2-methylidenebutanoate","w/o MS2:\"a,b-Dehydrocurvularin_120247\"","Guanosine 5'-monophosphate","w/o MS2: 10-(2-(2-(2,3-dihydrobenzofuran-5-yl)ethoxy)phenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-f]chromene-4,8-dione","w/o MS2:4-((9S,10R,17S)-10-((E)-(decylimino)methyl)-3-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,14-dihydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2:HIPPURATE","w/o MS2:NCGC00381125-01_C48H78O19_beta-D-Glucopyranose, O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-1-O-[(2alpha,3beta,5xi,9xi,13xi,18xi,19xi)-2,3,23-trihydroxy-28-oxours-20-en-28-yl]-","w/o MS2:Uridine","w/o MS2:(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","w/o MS2: Melophlin B/C/L/N/O","w/o MS2:Cycloprodigiosin","w/o MS2:NCGC00384939-01_C28H38O8_Methyl 3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate","w/o MS2: Putative (3-hydroxyoctadecanoyl)glycine","w/o MS2:Pesticide3_Fenuron_C9H12N2O_Urea, N,N-dimethyl-N'-phenyl-","w/o MS2:C40H36O10; PlaSMA ID-3160","w/o MS2:NCGC00381406-01!2-heptyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde","w/o MS2:9-(benzo[d][1,3]dioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl acetate","w/o MS2:Guanosine-3',5'-cyclic monophosphate","w/o MS2:3,5-Diiodo-tyrosine","w/o MS2: (2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0?,?.0??,??]heptadec-6-en-11-one","w/o MS2:NCGC00168965-02_C21H32O11_beta-D-Glucopyranoside, 3-(4-hydroxyphenyl)-1-methylpropyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-","w/o MS2:N-Butyl-p-toluenesulfonamide","w/o MS2:3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","5-O-methylvisammioside","w/o MS2:DG(20:5/0:0/20:5) (d5)","w/o MS2:NCGC00380262-01!2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene","w/o MS2:Pesticide2_Aldicarb_C7H14N2O2S_","w/o MS2:NCGC00180706-02!(2R,3R,4S,5S,6R)-2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:14-hydroxy-3-((5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate","w/o MS2:Tolterodine","w/o MS2:Ergocristam","w/o MS2:Ergosterol Peroxide_120246","w/o MS2:Altenuene","w/o MS2:(E)-2-(hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid","w/o MS2:Arginine conjugated chenodeoxycholic acid","w/o MS2: Jatrophane ester JE-C1","w/o MS2:15-Monoacetoxyscirpenol","w/o MS2:3-[(1R,3R,5R,8R,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2S,3S,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","w/o MS2:Biflavonoid-flavone base + 3O and flavanone base + 2O + 1MeO","w/o MS2:MELATONIN","w/o MS2: Nordihydrocapsaicin","w/o MS2: 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0?,??.0?,?]hexadecan-5-ol","w/o MS2:PANTOTHENATE","w/o MS2:3-Hydroxyphysodic acid","w/o MS2:Cytidine-5'-diphosphate sodium salt hydrate,from yeast","w/o MS2: glycyrrhetic acid","w/o MS2:Pesticide9_Formetanate HCl_C11H15N3O2 . HCl_3-{[(E)-(Dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride (1:1)","w/o MS2:Dihydrocelastryl Diacetate","w/o MS2:NCGC00386069-01!ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based on: CCMSLIB00000848590]","w/o MS2:5-METHYLCYTOSINE HYDROCLORIDE","w/o MS2:NCGC00381424-01_C26H30O8_3-(1-Acetoxy-3-methylbutyl)-6-{2-hydroxy-4-methyl-6-[(1E)-3-oxo-1-buten-1-yl]phenoxy}-2-methoxybenzoic acid","w/o MS2:3-METHYLCROTONYL-COA","w/o MS2:9-hydroxy-5b,8,11a-trimethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,5a,8-tricarboxylic acid","w/o MS2:(1r,3R,4s,5S)-4-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid","w/o MS2:Ingenol-5,20-acetonide-3-O-angelate","w/o MS2:methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate","w/o MS2:7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid","w/o MS2:9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide","w/o MS2:Pesticide2_Ethiofencarb_C11H15NO2S_Phenol, 2-[(ethylthio)methyl]-, methylcarbamate","w/o MS2:AMG-073 HCl (Cinacalcet hydrochloride)","Leucylproline","w/o MS2:Chasmanine","w/o MS2:(3S,10R,13R)-5,6-dibromo-10,13-dimethyl-17-octylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl nonadecanoate","w/o MS2:N-Methyllysine","w/o MS2:Caffeidine","Terbumeton","w/o MS2:Dioctyl Phthalate","w/o MS2: 2-((4R)-4-((3R,5S,7R,8R,9S,12S,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetic acid hydrate","w/o MS2:Lobaric acid","w/o MS2:N-6-(delta-2-Isopentenyl)adenosine hemihydrate","w/o MS2: MLS001148641-01!(+)-BUTACLAMOL HYDROCHLORIDE","w/o MS2: Carnosol","w/o MS2:NCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid","w/o MS2:2-[(5S,25R,26R,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.0?,??.0?,??.0??,??.0??,??.0??,??]octatriaconta-1(38),11(16),12,14,17,19,21,34,36-nonaen-29-yl]acetic acid","w/o MS2:Doxorubicin","w/o MS2:15,16-Dihydrotanshinone I","w/o MS2:Pyrrhoxanthinol","w/o MS2:Sphingosine-1-Phosphate","w/o MS2:PILOCARPINE NITRATE","w/o MS2:6ALPHA-METHYL-11BETA-HYDROXYPROGESTERONE","w/o MS2:[(2R,3R,4R,5R,6S)-6-[(6E)-3,7-dimethyl-8-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-1,6-dien-3-yl]oxy-5-hydroxy-4-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy-2-(hydroxymethyl)oxan-3-yl] (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate","w/o MS2:2',2'-Difluoro-2'-deoxyuridine","w/o MS2:3-[[6-[[1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid","w/o MS2:NCGC00380738-01!3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid","w/o MS2:Decahydrogambogic Acid","w/o MS2:NCGC00180783-02!5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000848426]","w/o MS2: methyl 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanoate","w/o MS2:2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-hydroxy-3-(3-methylbut-2-enyl)phenoxy]oxane-3,4,5-triol","w/o MS2:N-(3-Methoxybenzyl)(9Z,12Z,15Z)-octadeca-9,12,15-trienamide","w/o MS2:4-QUINOLINECARBOXYLIC ACID","w/o MS2:8-hydroxy-2,7,7,11,15-pentamethyl-5,12,16-trioxapentacyclo[9.8.0.0?,?.0?,?.0??,??]nonadec-13(18)-ene-3,17-dione","w/o MS2:Dimethametryn","w/o MS2:PRI_302.1864_17.0","w/o MS2:NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone [IIN-based on: CCMSLIB00000848764]","w/o MS2:Okadaic acid (-H2O)","w/o MS2:2-Deoxyribose-5-phosphate sodium salt","w/o MS2: Piperidine","w/o MS2:MLS002154034-01!Beclomethasone dipropionate5534-09-8","w/o MS2:4-Piperidinecarboxamide","w/o MS2:skimmianine","w/o MS2:MLS002637530-01!Cortell50-03-3","w/o MS2:NCGC00169368-02!3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan [IIN-based on: CCMSLIB00000848284]","w/o MS2: TOBRAMYCIN","w/o MS2:Methoxamine","w/o MS2:D-Ala-D-ala","w/o MS2: 4-((methylamino)methyl)quinolin-2(1H)-one","w/o MS2:Phenacylamine Hydrochloride","w/o MS2:NCGC00017386-03!CRYPTOPINE","w/o MS2:Deoxyaconitine","w/o MS2:LAUROYLCARNITINE","w/o MS2: Oridonin","w/o MS2:Ergosterol","w/o MS2:[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","w/o MS2:Hecogenin","w/o MS2: 7,8-dihydroxy-5,6-dimethoxy-2-phenyl-4H-chromen-4-one","w/o MS2:(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate","w/o MS2:(6aR,8aS,Z)-10-(5-acetamido-4-iodopentan-2-ylidene)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl acetate","w/o MS2:Beauvericin","w/o MS2:Serine","w/o MS2:(2S,3S)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one","w/o MS2:(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one","w/o MS2:[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoate","w/o MS2:JSTX-3","w/o MS2:\"NCGC00160259-01!8-(4-Methoxy-2,3,6-trimethyl-phenyl)-6-methyl-octa-3,5-dien-2-one\"","w/o MS2: Oxysophocarpine","w/o MS2:NCGC00180357-02_C15H20O2_2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (4aR,5R,6R)-","w/o MS2: Glycocholic Acid","w/o MS2:Eupalinolide K","w/o MS2:Pseudolaric Acid A-O-beta-D-glucopyranoside","w/o MS2:2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid","w/o MS2:[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","w/o MS2:NCGC00168814-02!(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","w/o MS2:CREATINE","w/o MS2:NCGC00380511-01_C26H36O11_","w/o MS2:[12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienyl] acetate","w/o MS2:Myricetin-3-Xyloside","w/o MS2: Methoxetamine","w/o MS2:keramamide A","w/o MS2:(2R,3R,4S,5S,6R)-2-[6-hydroxy-3-[(E)-3-hydroxybut-1-enyl]-2,4,4-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00381414-01_C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexahydro-5,8,9,14,16-pentahydroxy-3-methyl-, (6E)-","w/o MS2:4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one","w/o MS2:D-ORNITHINE","w/o MS2:Irinotecan Hydrochloride","Norharman","w/o MS2:PTERIN","w/o MS2:[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate","w/o MS2:NCGC00385599-01!1-methyl-2-nonylquinolin-4-one","w/o MS2: Capsorubin; FAB-EBEB; MS2; m/z","w/o MS2:NCGC00347381-02!(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde [IIN-based on: CCMSLIB00000847504]","w/o MS2:\"2-((4R)-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,2-dimethylpentanamido)ethane-1-sulfonic acid\"","w/o MS2:TG(20:0/20:1/20:0) (d5)","w/o MS2:(R)-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2(8H)-one","w/o MS2:20(R)-Ginsenoside Rh1","w/o MS2:Ophthalmic acid; CE0; JCMUOFQHZLPHQP-BQBZGAKWSA-N","w/o MS2:(2R,7S,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0?,?.0?,??.0??,??.0??,??]docosan-11-yl acetate","w/o MS2:Thalictropine","w/o MS2: Lovastatin hydroxy acid observed in lovastatin standard","w/o MS2:5-Hydroxymethylcytosine","w/o MS2:Anthranoyllycoctonine","w/o MS2:Cyanidin-3-O-(6''-O-(E-p-coum)-2''-O-(beta-xylopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside trifluoroacetate salt","w/o MS2: (2S,3R)-2-(((S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(7-methoxyquinolin-3-yl)-3-methylpentanamide","w/o MS2: 4-Cholesten-3-one","w/o MS2:L-LYSINE","w/o MS2:GSK163929B","w/o MS2:\"1,3,6-tri-O-methylarthothelin\"","w/o MS2:NCGC00384980-01!5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid [IIN-based on: CCMSLIB00000849069]","w/o MS2:NCGC00381051-01_C29H39NO8_2-(4-Hydroxy-6-methoxy-1-oxo-5-{[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid","w/o MS2:NCGC00380469-01![2-(2-acetyloxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based: Match]","Dihydrosphingosine","w/o MS2:Esmolol","w/o MS2:Pyrimidine","w/o MS2:Sarafloxacin HCl","w/o MS2: dehydrocurvularin","w/o MS2:TRIIODOTHYRONINE","w/o MS2:Nebularine","w/o MS2:Pesticide6_Fluquinconazole_C16H8Cl2FN5O_4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-","w/o MS2:\"MLS001077289-01!2-(2,2-DICYCLOHEXYLETHYL)PIPERIDINE 2-BUTENEDIOATE\"","w/o MS2:8-Deoxy-lactucin","w/o MS2: Gaultherin","w/o MS2:Rhodojaponin V","w/o MS2: (3S,6S)-3,6-di-sec-butylpiperazine-2,5-dione","w/o MS2:3-Hydroxycolensoic acid","w/o MS2:Agelasine (Stereochemistry Of Diterpene Unknown)","w/o MS2:Cholest-4,6-Dien-3-One","w/o MS2:16-demethoxy-20-epi-serpentinine","w/o MS2:NCGC00384608-01_C41H66O12_4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone, 5-ethyl-2,11,14,20,23,29,32-heptamethyl-, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-","(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[benzyl(methyl)amino]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl ...","w/o MS2:NCGC00380588-01!1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-one","w/o MS2:Confluentic acid","w/o MS2:NCGC00380701-01_C24H32O11_2-Propenoic acid, 2-methyl-, (4S,6R,6aS,9R,10S,10aR)-6,10-bis(acetyloxy)-4,5,6,6a,7,8,9,10-octahydro-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-2H-naphtho[8a,1-b]furan-4-yl ester","w/o MS2:Oxyphenonium","w/o MS2: 3-Amino-Beta-Pinene","w/o MS2:Epicatechocorynantheine B","w/o MS2: (3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl) acetate","w/o MS2:Aluminum dimerumic acid [M+Al-2H]","w/o MS2:Chlorprothixene","w/o MS2:12-O-[deca-2Z,4E-dienoyl]-13-isobutyroyloxy-4-deoxyphorbol","w/o MS2: vina-ginsenoside R3","w/o MS2:(9S,10S,17S)-3-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","w/o MS2:(Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile","w/o MS2:Leu-Gly-Gly","w/o MS2:NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate","w/o MS2:dhas#18","w/o MS2:Bilirubin","w/o MS2:1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(2-piperidylethyl)oxycarbonyl]pentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-yl acetate","1-(4-methoxyphenyl)ethanone","w/o MS2: KOBUSONE","w/o MS2: 4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol","w/o MS2:MMV006741","w/o MS2:C19H28N2O7; PlaSMA ID-2176","w/o MS2:(4aS)-6,7-dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one","w/o MS2:4-amino-5-(5-hydroxy-2',6-dimethyl-5'-prop-1-en-2-ylspiro[7-oxabicyclo[4.1.0]heptane-3,1'-cyclopentane]-2-yl)oxy-5-oxopentanoic acid","w/o MS2:Phytoene","w/o MS2:N-ACETYLPUTRESCINE","w/o MS2: (3aR,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one","w/o MS2:Norgenamide D_130072","w/o MS2:20,24-Epoxydammarane-3,11,25-triol","w/o MS2:\"((4R)-4-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)valine\"","w/o MS2:4-Hexylresorcinol","w/o MS2:\"LL-2,6-DIAMINOHEPTANEDIOATE\"","w/o MS2:eriocitrin","w/o MS2:ginkgolide B","w/o MS2:\"((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoyl)glycine\"","w/o MS2:3-Trimethylsilylpropionic acid","w/o MS2:10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2??,??.1??,??]tritriaconta-18,20,23(31),24,26,32-hexaene-2,5,8,11,14,30-hexone","w/o MS2: N-(9-oxodecyl)acetamide","w/o MS2:methyl (4S,5Z,6S)-4-[2-[[(1S,2R,3R,5R)-5-(1,3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","w/o MS2:4-((9S)-3,5,14-trihydroxy-13-methyl-10-((E)-((pyridin-4-ylmethyl)imino)methyl)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2: N-(6-methoxypyridin-3-yl)-1-methyl-1H-indole-6-carboxamide","w/o MS2: 4-hydroxy-1'-methylspiro[benzo[e][1,3]oxazine-2,3'-indolin]-2'-one","w/o MS2:NCGC00385995-01!1-methyl-2-tridecylquinolin-4-one","w/o MS2:Glutamine (L)","w/o MS2:((5aR,5bR)-9-acetoxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl acetate","w/o MS2:Simvastatin M+NH4","w/o MS2:4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","w/o MS2:6a-Acetoxy-17(21)-hopene","w/o MS2:(E)-8-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2,6-dimethyloct-6-enoic acid","w/o MS2:Portentol","w/o MS2:2-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-5-yl)-5-methoxy-4-propylphenol","w/o MS2: NCGC00384969-01_C22H31NO4_(5R)-3-({(1S,2R,4aS,6R,8aR)-1,6-Dimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-4-hydroxy-5-(hydroxymethyl)-1-methyl-1,5-dihydro-2H-pyrrol-2-one","w/o MS2:5,6-dehydrogensenoside Rd","w/o MS2:13-methoxy-1,6-diazatetracyclo[7.6.1.0?,??.0??,??]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one","w/o MS2:9-hydroxy-10,12-octadecadienoic acid","w/o MS2: 15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0?,??.0?,?.0??,??]icosane-5-carboxylic acid","w/o MS2: 4-hydroxy-3-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoic acid","w/o MS2:Rolipram","w/o MS2: N,O-Didesmethylvenlafaxine; LC-ESI-ITFT; MS2; CE","w/o MS2:2-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid","LPC 18:2; PlaSMA ID-2753","LPC 18:2; PlaSMA ID-2754","w/o MS2:[4,5-diacetyloxy-6-[7-hydroxy-5-methoxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-3-yl] acetate","w/o MS2: Venlafaxine; LC-ESI-ITFT; MS2; CE","w/o MS2:(1R,2R,5R,5'S,6S,8aS)-6-(acetyloxy)-2,5,8a-trimethyl-5''-oxo-octahydro-2H-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-5-ylmethyl acetate","w/o MS2:1,3-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene","w/o MS2:Hexosyl LPE 18:2","w/o MS2: Darutigenol","w/o MS2:(2R,3R,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid","w/o MS2:Clenbuterol","w/o MS2:15,17-dihydroxy-9-methyl-4,10-dioxatricyclo[11.4.0.0?,?]heptadeca-1(17),13,15-triene-2,11-dione","w/o MS2:[(2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] 3-methylbut-2-enoate","w/o MS2: LPE 16:0; PlaSMA ID-2476","w/o MS2:Pesticide3_Carbofuran_C12H15NO3_Furadan","w/o MS2:2-Aminophenol","w/o MS2:Ala-Ala","w/o MS2:NCGC00386045-01_C21H28O6_2-Butenoic acid, 2-methyl-, (2Z)-2-[[1-(3,4-dimethoxyphenyl)propoxy]carbonyl]-2-buten-1-yl ester, (2E)-","w/o MS2:Celestolide","w/o MS2:(S)-MALATE","w/o MS2:NCGC00169277-02!3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid","w/o MS2:NCGC00380726-01_C25H33NO6_(2'R,6'S,8a'S)-4,7'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3,3',4',4a',5',6,6',7,7',8,8',8a'-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6'-yl acetate","w/o MS2:Trimethoxy-3,4,5-cinnamate-vincamajine","w/o MS2:NCGC00180232-02!7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000847711]","w/o MS2:Tobramycin ion source fragment BCX, ring A fission","w/o MS2:6-Shogaol","w/o MS2: Spheroidenone; FAB-EBEB; MS2; m/z","w/o MS2:Fluorescein","w/o MS2:Laccaic Acid A","w/o MS2:NCGC00380931-01_C26H42O10_","w/o MS2:(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[4-[3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00386091-01!2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848686]","w/o MS2:INDOLE-3-ACETAMIDE","w/o MS2: 9-(2,3-dihydroxypropoxy)-9-oxononanoic acid","w/o MS2:Imatinib","w/o MS2:3-[(3-OH-myristoyl)oxy]decanoyl glutamine from Cohen et al Nature 549 48 53 2017","w/o MS2:NCGC00180833-02!2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846302]","w/o MS2: NCGC00384680-01_C17H24O4_Bicyclo[7.2.0]undec-4-en-3-one, 11-[(acetyloxy)methyl]-4-(hydroxymethyl)-11-methyl-8-methylene-, (1R,4Z,9S)-","w/o MS2:LOVASTATIN","w/o MS2: [(2R)-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propan-2-yl] 3-(3,4-dihydroxyphenyl)propanoate","w/o MS2:myristic acid","w/o MS2:Maedamide","w/o MS2:cinchonine","w/o MS2:MMV687765","w/o MS2:LysoPC(0:0/18:0)","w/o MS2:[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate","w/o MS2:MMV1019989","w/o MS2:Oleic_acid","w/o MS2:Dihydrokawain","w/o MS2:Cinnamaldehyde","w/o MS2:2-[(2S,3S,4S)-3-[(1S)-1-acetyloxyethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid","w/o MS2:D-Glucosyl-beta1-1'-D-erythoro-Sphingosine","w/o MS2:NCGC00380806-01!6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid [IIN-based: Match]","Phthalic acid","w/o MS2:MUCIC ACID","w/o MS2:(2E)-6-{13,17-dihydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0?,?.0?,?.0??,??]octadecan-15-yl}-2-methylhept-2-enoic acid","Xanthyletin","w/o MS2:Thymine; CE0; RWQNBRDOKXIBIV-UHFFFAOYSA-N","w/o MS2: Cholestan-3-One","w/o MS2:Leucine ethyl ester","w/o MS2:N-acetyltyramine","w/o MS2:(2R,3R,3aR,5R)-5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one","w/o MS2: ONONETIN","w/o MS2: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","w/o MS2:Thiabendazole","w/o MS2:NCGC00385654-01!7-hydroxy-6-methoxy-8-(3-methylbut-2-enyl)chromen-2-one","w/o MS2:NCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid [IIN-based on: CCMSLIB00000846498]","w/o MS2:Methyl-mappain","w/o MS2:NCGC00380977-01!6-[(1E,3E,5E,7E)-8-[(2R,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-one [IIN-based on: CCMSLIB00000848362]","w/o MS2: NCGC00347557-02!4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol","w/o MS2:n-homoveratroylhomoveratrylamine","w/o MS2:Galaxolidone","w/o MS2:MMV687747","w/o MS2:Notoginsenoside R1","w/o MS2:Penitrem A","w/o MS2:(Z)-2-benzylidene-9-(quinolin-4-yl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:angolensin (r)","w/o MS2:S-Adenosyl-homocysteine","w/o MS2:NCGC00180643-03!2-[(2S,3S,4S)-3-[(1S)-1-acetyloxyethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid","w/o MS2:NCGC00385814-01_C21H30O10_(2E,4E)-5-{6-[(beta-D-Glucopyranosyloxy)methyl]-1-hydroxy-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl}-3-methyl-2,4-pentadienoic acid","w/o MS2:NCGC00380786-01!3-methoxy-4-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol","w/o MS2:Crystamidine","w/o MS2:Hexaethylene glycol; CE0; IIRDTKBZINWQAW-UHFFFAOYSA-N","w/o MS2:(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol","w/o MS2:NCGC00180261-02!1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone","w/o MS2:NCGC00169998-02!(2R,3R,4S,5S,6R)-2-[(3R)-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:(S)-N-(10-((6-(6-bromo-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-6-oxohexyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:Methionine","w/o MS2:hirsutanone","w/o MS2:jaeschkeanadiol","w/o MS2: NCGC00385068-02_C20H28O13_Benzoic acid, 4-methoxy-2-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-, methyl ester","w/o MS2:NCGC00380597-01_C28H38O10_Methyl 5-acetoxy-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-h]isochromene-2-carboxylate","w/o MS2:NCGC00386025-01!hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate [IIN-based: Match]","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(3,4-dimethoxyphenyl)amino]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen...","w/o MS2:C24H22O11; PlaSMA ID-2619","w/o MS2:Linalool (+)","w/o MS2:Dimethenamid-ESA","w/o MS2:Pesticide4_Carfentrazone-ethyl_C15H14Cl2F3N3O3_alpha,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid ethyl ester","w/o MS2:Palmitoleic acid","w/o MS2:NCGC00381220-01!16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone","w/o MS2:Petrobactin","w/o MS2:Flavone base + 3O, 2MeO, O-guaiacylglycerol","w/o MS2:N-Cyclohexyl-2-benzothiazol-amine","w/o MS2:IRGANOX 1098","w/o MS2:MMV022236","w/o MS2:NCGC00347615-02!methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate","N-Acetylarginine; CE30; SNEIUMQYRCDYCH-LURJTMIESA-N","w/o MS2:4-methyl-8-((2-methylpiperidin-1-ium-1-yl)methyl)-2-oxo-2H-chromen-7-olate","w/o MS2:NCGC00180769-03_C17H24O6_2-Butenoic acid, 2-methyl-, (1S,5R,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-yl ester, (2E)-","w/o MS2:Phenylpropanolamine","w/o MS2:THIAMINE","w/o MS2:Iohexol","DErySphingosine","w/o MS2:NCGC00381145-01!(7,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) hexanoate","w/o MS2:NCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846644]","w/o MS2: 6-[[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-3-methylidene-7-oxabicyclo[4.1.0]heptane-2,4,5-triol","w/o MS2:leonurine","w/o MS2:NCGC00381019-01_C33H40O10_1H-Cyclopentacyclododecene-4,10(2H,5H)-dione, 3a,9,13-tris(acetyloxy)-1-(benzoyloxy)-3,3a,8,9,13,13a-hexahydro-2,5,8,8,12-pentamethyl-, (6E,11E)-","w/o MS2:NCGC00347633-02!7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone [IIN-based: Match]","w/o MS2:Tocainide","w/o MS2: NCGC00179704-04_C15H24O3_2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-alpha-methylene-","w/o MS2:NCGC00016349-11!7-hydroxy-6-methoxychromen-2-one","w/o MS2:Glutamic acid","w/o MS2:2-[4a-methyl-8-methylidene-4-(3-methylpentanoyloxy)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid","w/o MS2:2'-O-Methylcytidine","PIPECOLINIC ACID","w/o MS2:Ganoderic Acid G","w/o MS2:Ganoderic Acid F","w/o MS2:Baquiloprim","w/o MS2:NCGC00168796-02_C22H36O7_Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R,16alpha)-","w/o MS2:DL-Liquiritigenin","w/o MS2:Bisphenol A (2,3-dihydroxypropyl) glycidyl ether","w/o MS2:2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate","w/o MS2: MLS001142660-01!1-[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]piperidine-4-carboxamide","w/o MS2:Microviridin M","w/o MS2:Ganoderic Acid B","w/o MS2:Microviridin N","w/o MS2:Fosinopril","w/o MS2:MMV687706","w/o MS2:NCGC00380893-01_C16H24O7_beta-D-Glucopyranoside, 5-(hydroxymethyl)-2-(1-methylethyl)phenyl","w/o MS2:Schizantherin E","w/o MS2:Threonylleucine (isomer of 809, 926); PlaSMA ID-924","w/o MS2:MLS002153902-01!Monocrotaline315-22-0","w/o MS2:6-Methylmercaptopurine","w/o MS2:(1R,2R,4aS,6aS,6bR,10S,12aR,14bS)-1,8,10-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","w/o MS2:(4aR)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid","w/o MS2:N-arachinoyl-5-hydroxytryptamide","w/o MS2:Tralkoxydim (isomer2)","w/o MS2:Kinetin","w/o MS2:Estragole","w/o MS2:Microcolin J","w/o MS2:Microcolin K","w/o MS2:Microcolin L","w/o MS2:Antheraxanthin","w/o MS2:3,4-dimethyl-9-phenyl-7H-furo[2,3-f]chromen-7-one","N-Acetylphenylalanine","w/o MS2:Cyclohexylamine","w/o MS2:Melamine","w/o MS2:[17-acetyl-3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate","w/o MS2:PALMITOYLCARNITINE","w/o MS2:N-2-Hydroxycyclopentyladenosine","w/o MS2:\"methyl (4R)-4-((3R,5S,7R,9S,10S,13R,17R)-7-acetoxy-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate\"","w/o MS2:3,7-O-diacetyl-5-O-benzoyl-13,17-oxy-14-oxopremyrsinol","w/o MS2:(2E,6E,11E)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11-trienoic acid","w/o MS2:Neoandrographolide","w/o MS2:Periplogenin","w/o MS2:NCGC00380480-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate","w/o MS2:Putative (3-hydroxyoctadecanoyl)glycine","Di-n-butyl phthalate","w/o MS2:Guanosine-5'-diphosphate sodium salt","w/o MS2:SPECTINOMYCIN","w/o MS2:1-hydroxypyrene","w/o MS2: Dereplicator Identification - (2R)-beta,beta-Caroten-2-ol","w/o MS2:NCGC00385877-01_C12H20O8_(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside","w/o MS2:MLS000859908-01!Cyproterone acetate","w/o MS2:Isoxsuprine","w/o MS2: taurohyodeoxycholic acid","w/o MS2:Acetophenazine","w/o MS2:Selegiline","w/o MS2:NCGC00179860-02!6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid","w/o MS2:MMV000858","w/o MS2:NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone","w/o MS2:\"12b-O-[deca-2Z,4E,7Z-trienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol\"","Warfarin","w/o MS2:Acetyl-CoA","w/o MS2: NCGC00385008-01!3-[4-[5-(acetyloxymethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid","w/o MS2:Thymidine","w/o MS2:ATROPINE SULFATE","w/o MS2:NCGC00381435-01!13-dodecan-2-yl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone","w/o MS2:elegantissine","w/o MS2:Deacetylgedunin","w/o MS2:NCGC00180733-02!(E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one [IIN-based: Match]","w/o MS2:2-Mercaptobenzimidazole","w/o MS2:Coenzyme Q10","w/o MS2:NCGC00180558-02!","w/o MS2: _120254","w/o MS2:Gerbudin","w/o MS2:MLS001304004-01!Norethindrone Acetate","w/o MS2:2-Octyl-3(2H)-isothiazolone","w/o MS2:Picroside I","w/o MS2:2,6-Dimethoxyquinone","w/o MS2:Apratoxin B","w/o MS2:Sunitinib Malate (Sutent)","w/o MS2:Apratoxin G","w/o MS2:Xanthosine","w/o MS2:Apratoxin F","w/o MS2:3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-3a,4,5,8a-tetrahydrocyclohepta[b]furan-7-yl]propanoic acid","w/o MS2: 1,5-Anhydrosorbitol","w/o MS2: 7-Hydroxymitragynine","w/o MS2:Bacopaside X","(1R,5S)-3-(3-(5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one","w/o MS2:Imazapyr_Na-Adduct","w/o MS2:3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-2-yl]methoxy]propanoic acid","w/o MS2:1,5-Naphthalenediamine","w/o MS2: 7-Oxocholesterol","w/o MS2:NCGC00384567-01_C10H12N2O3_N-(2-Aminobenzoyl)alanine","w/o MS2:Exumolide A","w/o MS2:24(R)-Pseudoginsenoside F11","w/o MS2:(5E)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]cyclopentene-1-carboxylic acid","w/o MS2:Flumetasone","w/o MS2:4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-benzo[f][2]benzofuran-3-one","w/o MS2:[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate","w/o MS2:3,3',5-Triiodothyronine","w/o MS2: NCGC00380425-01!1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one","w/o MS2:Rolitetracycline","w/o MS2:NCGC00381342-01!3-[(E)-prop-1-enyl]pentanedioic acid","w/o MS2:cycloanthranilylproline","w/o MS2:Cysteine conjugated chenodeoxycholic acid","w/o MS2:Buflomedil","w/o MS2:NCGC00380422-01!4-methoxy-6-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-1,3-benzodioxole [IIN-based: Match]","w/o MS2:LPC 18:2","w/o MS2:\"NCGC00160170-01!6,7-Dimethoxy-1-[2-(2,3,4-trimethoxy-phenyl)-vinyl]-3,4-dihydro-isoquinoline\"","w/o MS2: Chaulmoogric Acid","w/o MS2: NCGC00180855-02_C23H36O4_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-, methyl ester, (2Z)-","w/o MS2:6,8-bis(morpholino-4-iummethyl)-4-oxo-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromene-5,7-bis(olate)","w/o MS2:vindoline","w/o MS2:NCGC00385957-01_C11H13NO3_(2E)-3-(3,4-Dimethoxyphenyl)acrylamide","w/o MS2:2-Aminobiphenyl","w/o MS2:Maprotiline","w/o MS2:2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(4-(octyloxy)phenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione","w/o MS2:Vanillin","w/o MS2:SH373-1","w/o MS2:Ceramide (18:1/16:0)","w/o MS2:MLS001077304-01!FLUMETHASONE PIVALATE","w/o MS2:NCGC00385718-01_C29H38O6_(7alpha,9xi,13alpha,17alpha)-17-(5-Methoxy-2-oxo-2,5-dihydro-3-furanyl)-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate","w/o MS2:Pimozide","Triphenylphosphate","w/o MS2: Phthalic acid","w/o MS2:Loggerpeptin A","w/o MS2:1-methyl-2-undecylquinolin-4-one","w/o MS2:Fluridone","w/o MS2:Dimerum acid [M-H2+Fe]","w/o MS2:(7E,11E)-17-{[3,4-dihydroxy-5-(2-hydroxy-4-methoxy-6-methylbenzamido)-4,6-dimethyloxan-2-yl]oxy}-27-hydroxy-3,6,8,12,14,20,22-heptamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0?,?.0??,??.0??,??]heptacosa-4,7,11,14,24(27)-pentaene-4-carboxylic acid","w/o MS2: (S)-3-(4-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)-2-oxoethoxy)phenyl)-8-methoxy-2H-chromen-2-one","w/o MS2:3-[(Z)-5-[6-hydroxy-5,5,8a-trimethyl-2-methylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-3-oxopropanoic acid","w/o MS2:DAUNORUBICIN","w/o MS2: Cafestol","w/o MS2:CAPTOPRIL","w/o MS2: NCGC00180497-02!","w/o MS2:Buspirone","w/o MS2:N-ACETYLCYSTEINE","w/o MS2:Adrenosterone","w/o MS2:Pyrenophorol","w/o MS2:Erythromycin A","w/o MS2:NCGC00347382-02!(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one","w/o MS2:GLUCOSAMINATE","w/o MS2:2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-5-oxido-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium","w/o MS2:[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate","w/o MS2:Pyrenochaetic acid A_120094","w/o MS2:lithocholic acid","w/o MS2:Cyanidin 3-xylosylrutinoside","w/o MS2:rac-Glycerol 3-phosphoate disodium salt hexahydrate","w/o MS2:NCGC00385789-01_C26H42O9_5,6,16-Trihydroxygrayanotox-10-en-3-yl hexopyranoside","w/o MS2:(1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl)methanol","w/o MS2:NCGC00381230-01_C34H42O11_7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, alpha-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-10-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2,13-dioxo-, methyl ester","w/o MS2:\"3_,7_,13_,17-O-tetracetoxy-15_-hydroxy-5_-O-methylbutyroyloxy-14-oxopremyrsinol\"","w/o MS2:Ganoderic acid D2","w/o MS2:Berberine hydrochloride","w/o MS2:Zamifenacin","w/o MS2:Fluvastatin","w/o MS2:NCGC00380916-01_C16H27NO10_","w/o MS2:(2R,2'S,4'aS,5'R,5''S,6'R,8'aS)-2'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2'',8'-dioxo-octahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolane]-8'a-ylmethyl acetate","w/o MS2: tomatidine","w/o MS2:Ceramide (d18:1/16:0)","w/o MS2: (E)-6-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(3,4,5,6-tetrahydro-2H-cyclopenta[d]thiazol-2-ylidene)hexanamide","w/o MS2:(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one","w/o MS2:NCGC00169348-03!(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based on: CCMSLIB00000848599]","w/o MS2: Alpha Cyperone","w/o MS2:\"MLS001048999-01!1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole\"","w/o MS2:Dereplicator Identification - rhapsamine","w/o MS2:Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)","w/o MS2:N-(3-Oxobutyl)-tyrosine","w/o MS2:NCGC00381321-01!3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one","w/o MS2: 7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one","w/o MS2:Oleoyl-L-Carnitine","w/o MS2:N-((S)-1,2,3-trimethoxy-10-(((S)-4-(methylthio)-1-oxo-1-(4-(pyrrolidin-1-ylsulfonyl)-1,4-diazepan-1-yl)butan-2-yl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2: Alanine","w/o MS2: 1,2,3,4-tetrahydro-6-methoxy-1-oxo-beta-carboline","w/o MS2: 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","w/o MS2:11-Oxomogroside IIIE","w/o MS2:Pesticide3_Propoxur_C11H15NO3_Baygon","w/o MS2:NCGC00380730-01_C42H66O16_beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-1-O-[(3beta,5xi,9xi)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-","w/o MS2:Diosmetin-7-O-beta-D-glucopyranoside","w/o MS2: Ganoderal A","w/o MS2:2,6-ditert-butyl-4-methylphenol","w/o MS2:Estrone","w/o MS2:Ibutilide fumarate","w/o MS2:Criophylline","w/o MS2:MLS001333710-01!21-Acetoxypregnenolone566-78-9","w/o MS2:Galaxolide","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2:Ortophosphate","w/o MS2:oregonin","w/o MS2:N-Acetyltryptophan","w/o MS2:NCGC00017269-08!7-hydroxy-3-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847610]","w/o MS2:NCGC00380516-01![12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienyl] acetate","w/o MS2: AZELAIC ACID","w/o MS2:Chlordiazepoxide","w/o MS2:[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate","w/o MS2:6,7-dihydroxy-4-phenylcoumarin","w/o MS2:2-(2-methoxy-phenyl)-5-oxo-tetrahydro-furan-3-carboyl-lupinine","w/o MS2: N-(1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-(8-(6,7-dimethyl-4-oxo-4H-chromen-2-yl)-4H-benzo[d][1,3]dioxine-6-carbonyl)pyrrolidine-2-carboxamide","w/o MS2: 27-Hydroxycholesterol","w/o MS2:Medicagenic acid base + O-Hex-Malonylate","w/o MS2:12'-Apocapsorbinal","w/o MS2:NCGC00386042-01!8-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","w/o MS2:[(2S,3R,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,4,5-trihydroxybenzoate","w/o MS2:Ptaeroxylin","w/o MS2:Theionbrunonine B","w/o MS2:Theionbrunonine A","D-ribo-Phytosphingosine","w/o MS2:Pesticide4_Avermectin B1b_C48H72O14_(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside","w/o MS2:MMV000907","w/o MS2:[(2S,3S,4S,5R,6S)-6-[[(1aS,2S,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxy]-5-hydroxy-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate","w/o MS2:Notoginsenoside Fe","w/o MS2:Triacylglycerol 12:0-16:0-16:0","w/o MS2:Benzyldiphenylphosphine oxide","w/o MS2:phellopterin","w/o MS2:NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846229]","w/o MS2:Rifabutin","w/o MS2:CARNOSINE","w/o MS2:Thiothixene","w/o MS2:Buddlejasaponin IVb","2-methyl-4-(pyridin-2-yl)but-3-yn-2-ol","w/o MS2: NCGC00381224-01!4-[2-[[4-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid","w/o MS2:ADpSGEGDFXAEGGGVR","w/o MS2: Cyclopyrroxanthin; FAB-EBEB; MS2; m/z","2'-O-methyl-Kurarinone","Esculin","w/o MS2:Uridine-5'-diphospho-N-acetylgalactosamine disodium salt","w/o MS2:NCGC00179711-03_C20H30O6_2(5H)-Furanone, 5-hydroxy-4-[2-(octahydro-2,3-dihydroxy-5,6,8a-trimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl)ethyl]-","(2S,3S,4R,5R,6S)-2-(((2aR,4S,5aS,7S,11aR,12aS)-4-hydroxy-2a,5a,8,8-tetramethyl-3-((2R,5S)-2-methyl-5-(2-(((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)tetrahydrofuran-2-yl)-9-(((3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)hexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2:Demethoxycentaureidin 7-O-rutinoside","w/o MS2:Diosmin","w/o MS2:Coenzyme Q2","w/o MS2:Asparagine","w/o MS2:Abiraterone (CB-7598)","w/o MS2:SB413217A","Indole-3-carboxyaldehyde","w/o MS2:Choline","w/o MS2:Aniracetam","w/o MS2:Alanine conjugated chenodeoxycholic acid","w/o MS2: alpha-lobeline","w/o MS2:Arprinocid","w/o MS2:NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane [IIN-based on: CCMSLIB00000846227]","w/o MS2:Beta-Asarone","w/o MS2:Nicotinic acid mono nucleotide","w/o MS2:(1r,5R,7S)-2-(1H-indol-4-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one","w/o MS2:Linalool","w/o MS2:Etamycin","w/o MS2:Perrottetin E 1","w/o MS2:Diadinochrome","w/o MS2:[(1S)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate","w/o MS2:Monactin (NCGC00384608-01_C41H66O12)","w/o MS2:Docosahexaenoyl Ethanolamide","w/o MS2:kaempferol","w/o MS2: NCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate","w/o MS2:N-(2-methoxyethyl)-7H-purin-6-amine","w/o MS2: (1S,2R,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecan-6-one","w/o MS2:Eremanthin","w/o MS2: MLS000860001-01!(+/-)-PPHT hydrochloride","w/o MS2:(2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0?,?.0?,??.0?,??.0??,??.0??,??]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one","w/o MS2:(2S,3S,4R,5R,6R)-6-[[(3R,6aR,6bS,8R,8aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid","w/o MS2:Sufentanil","Tryptophan","w/o MS2:NCGC00385640-01!5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","Xanthine","w/o MS2:Loganin","w/o MS2:L-Histidine","L-(-)-Phenylalanine","w/o MS2:NCGC00169472-02_C11H10N2O2_Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-","w/o MS2: NCGC00186665-03!2,3-dihydroxypropyl hexadecanoate","w/o MS2: anabasamine","w/o MS2:NCGC00380897-01!2-dec-9-enyl-3-hydroxypentanedioic acid","w/o MS2:Irbesartan","w/o MS2: NCGC00380693-01_C25H35NO6_3-[4-({2-[(2E)-2-Buten-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-3-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-hydroxy-2-methylpropanoic acid","w/o MS2:Solasodine","w/o MS2:D-(+)-Turanose","w/o MS2: (1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-{[(3-methylbutanoyl)oxy]methyl}tetracyclo[11.2.1.0?,??.0?,?]hexadecane-5-carboxylic acid","w/o MS2:N-[3-[5,17-bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-8-(hydroxymethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide","w/o MS2:Kokanidin","w/o MS2:Chlortoluron","w/o MS2:hyperin","w/o MS2:Endocrocin","w/o MS2:1,4-Chrysenequinone","w/o MS2: tetradec-5-ynoic acid","w/o MS2:\"(R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","w/o MS2:Tyrosine conjugated cholic acid","w/o MS2:\"L-2,3-DIAMINOPROPIONIC ACID\"","w/o MS2:Holstiline","w/o MS2:2-AMINOETHYL DIHYDROGEN PHOSPHATE","w/o MS2: Leupeptin; LC-ESI-QTOF; MS2; CE","w/o MS2: 3,7-Epoxycaryophyllan-6-One","w/o MS2:Gliquidone","w/o MS2:bisdethiobis(methylthio)gliotoxin","w/o MS2:NCGC00381214-01_C21H30O12_beta-D-Glucopyranoside, 2-hydroxy-4-(2-propen-1-yl)phenyl 6-O-beta-D-glucopyranosyl-","w/o MS2: Grayanotoxin I","w/o MS2:Miliiamine C 20-Ac, N-de-Me - Ingenol diterpenoid","w/o MS2:PANTOLACTONE","w/o MS2:8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one","w/o MS2:Ganoderic acid I","w/o MS2:L-Tryptophan","w/o MS2:Ganoderic acid D","Asarone","w/o MS2:NCGC00385473-01!2,4-dihydroxy-6-(hydroxymethyl)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde","w/o MS2:Gly","w/o MS2:NCGC00168941-08!(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid","(2R,3S,4S,5S,6S)-2-(((3R)-3-hydroxy-17-((2S)-3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1-(((3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2:Isoxaben_Na-Adduct","w/o MS2:N-[(2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-(butan-2-yl)-21',24'-dihydroxy-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran- 2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-1 0',14',16',22'-tetraen-2'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]acetamide","w/o MS2: Dibutyl phthalate","w/o MS2:Norfenfluramine","w/o MS2:Norpropoxyphene","w/o MS2:(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:desferrioxamine A1","DIACETYL","w/o MS2:MLS001333211-01!Beclomethasone","w/o MS2:NCGC00380444-01_C16H20O3_2-Naphthaleneacetic acid, 1,2,3,7,8,8a-hexahydro-8,8a-dimethyl-alpha-methylene-7-oxo-, methyl ester, (2R,8R,8aR)-","w/o MS2:Aluminum triacetylfusarinin C [M+Al-2H]","w/o MS2:Citrulline","w/o MS2:6-(1H-indol-3-ylmethyl)-9-methyl-3,15-di(propan-2-yl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone","w/o MS2:MMV687699","w/o MS2:Tripropyl phosphate","w/o MS2:Tsitsikammamine A","Lauryl diethanolamide","w/o MS2:Tsitsikammamine B","w/o MS2:(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid","w/o MS2:7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one","Nomilin","w/o MS2:6-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5,7-dimethoxychromen-2-one","w/o MS2:Licarin A","w/o MS2:Shearinine F_120146","w/o MS2:7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid","w/o MS2:Rufloxacin","w/o MS2:Seneciphylline","w/o MS2:NCGC00385198-01_C37H50O9_","Quinoline","w/o MS2: Polanrazine B_120170","w/o MS2:C19H32O4; PlaSMA ID-1756","w/o MS2:Ovalitenin B","w/o MS2:Acridinone","w/o MS2:C11H18N2O5S2; PlaSMA ID-1717","w/o MS2:hexadecanedioic acid","w/o MS2:Allantoin","Isosakuranin","w/o MS2: 3,5-dihydroxydecanoic acid","w/o MS2: (10R,13S)-17-((Z)-5,5-diphenylpenta-2,4-dien-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol","w/o MS2:(R)-N-((R)-1-(2-aminoacetamido)-4-methyl-1-oxopentan-2-yl)-1-(2-((3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetyl)pyrrolidine-2-carboxamide","w/o MS2:NCGC00380602-01!1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione","w/o MS2:(S)-3-(4-hydroxyphenyl)chroman-7-ol","w/o MS2: (3Z)-3-[[1,6-dimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione","w/o MS2:Molassamide","w/o MS2:Oxadixyl","w/o MS2:C9H14N; PlaSMA ID-119","w/o MS2:CORTICOSTERONE","w/o MS2:NCGC00385691-01!(E)-6-hydroxyoctadec-4-enoic acid","w/o MS2:MMV009135","w/o MS2:quassin","w/o MS2:6-acetyloxy-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid","w/o MS2:(2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:Cephalexin - Dark Web Drugs","w/o MS2:4,4?-Dichlorobenzophenone","w/o MS2:Miltirone","w/o MS2:(2R,3R,4R,6aR,6bS,8aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid","w/o MS2: Chrysanthemyl Alcohol","w/o MS2:NCGC00380379-01_C29H42O11_","w/o MS2:NCGC00384511-01_C45H72O12_(1S,4E,5'R,6R,6'R,7S,8R,10S,12R,14S,16S,18E,20E,22S,25R,27R,28R,29S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone","w/o MS2:[(1R,2S,3S,4R,4aS)-2,3-dihydroxy-3,4a,8,8-tetramethyl-4-[(E)-3-oxobut-1-enyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate","Cyclo(Leu-Pro)","w/o MS2:Olivetonide","w/o MS2:NCGC00179930-02!3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole","w/o MS2:UHQ (mixed MS2 C11:db:UHQ)","w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","w/o MS2: gamma-Tocotrienol; LC-ESI-QTOF; MS2; CE","w/o MS2:NCGC00380465-01_C38H64O17_Hexopyranoside, 1-[7-[[4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxyethyl","w/o MS2:Azlocillin sodium salt","w/o MS2:C11H11NO5; PlaSMA ID-967","w/o MS2:Bexarotene","w/o MS2:Guanosine cyclic monophosphate","w/o MS2:NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000847365]","w/o MS2:MMV688990","w/o MS2:Sinapoylcholine","w/o MS2:Glutamine","w/o MS2:3-Methylcrotonylglycine","w/o MS2:alpha-Galactosamine-1-phosphate","w/o MS2:Bullatine G","w/o MS2:NCGC00347816-02!","w/o MS2:Geyerline","w/o MS2:Hypaconine","w/o MS2: 1-(2-methylpropylidene)-4-(propan-2-yl)-1H,2H,3H,4H,6H-piperazino[2,1-b]quinazoline-3,6-dione","w/o MS2:aloesin","Quillaic acid","w/o MS2:NCGC00380956-01!(E)-9-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydec-4-enoic acid","w/o MS2:\"2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enamido)ethane-1-sulfonic acid\"","Crotonoside","w/o MS2:3-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-c hromen-4-one","w/o MS2:Bullatine B","w/o MS2:(1R,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0?,?.0??,??]pentadeca-3,8-dien-13-yl hexadecanoate","w/o MS2:MLS001148217-01!Medroxyprogesterone 17-acetate","w/o MS2:5,6-Dihydroxylutein","w/o MS2:Sodium Danshensu","w/o MS2:2'-DEOXYURIDINE 5'-MONO-PHOS-PHATE","w/o MS2:Pesticide4_Moxidectin_C37H53NO8_(1'R,2R,4Z,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-21',24'-Dihydroxy-4-(methoxyimino)-5,11',13',22'-tetramethyl-6-[(2E)-4-methyl-2-penten-2-yl]-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one","w/o MS2:4-benzyl-7-hydroxy-1-hydroxymethyl-3,5,6,7-tetrahydro-8h-pyrrolizinium","w/o MS2:NCGC00160225-01!SONGORINE N-OXIDE","w/o MS2: NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid","w/o MS2:methyl (1S,2R,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0?,?.0??,??]hexadeca-5,11-diene-4-carboxylate","w/o MS2:Helicide","w/o MS2: Palmitoyl Ethanolamide","w/o MS2:beta-Zeacarotene","w/o MS2:iodinated analogue of makaluvone","w/o MS2:L-alanyl-L-alanine","w/o MS2:NCGC00347364-02!4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol [IIN-based on: CCMSLIB00000847448]","w/o MS2:diacetylsongorine","w/o MS2:Flumazenil","w/o MS2:NCGC00179793-02!3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane","w/o MS2:pericyclivine-N-oxide","w/o MS2: Metolachlor; LC-ESI-ITFT; MS2; CE","w/o MS2:Aconifine","w/o MS2:(2S,3S)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one","w/o MS2:Triglyme","w/o MS2:MLS000563057-01!","w/o MS2:Verrucarin J","w/o MS2:Dinactin (NCGC00384729-01_C42H68O12)","(2S,3S,4R,5R,6S)-2-(((2aR,4S,5aS,7S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)hexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","w/o MS2:MMV688958","w/o MS2:Aconine","w/o MS2:NCGC00180170-02_C32H41N3O7_5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-, (5R,10S,10aR,14aS,15bS)-","w/o MS2:NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one","w/o MS2:Serotonin","w/o MS2:Lappaconitine","w/o MS2:NCGC00180573-03!2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","w/o MS2:C4-homoserine lactone","w/o MS2:Malvidin","w/o MS2:NCGC00380949-01_C28H42O5_3,5,9,23-Tetrahydroxy-18,22-cycloergosta-6,8(14)-dien-11-one","w/o MS2:Indole-3-acetyl-L-glutamic acid","w/o MS2:3-Nor-3-Oxopanasinsan-6-Ol","w/o MS2:Kaempferol 3-alpha-L-arabinopyranoside","w/o MS2:(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide","w/o MS2:2-Aminoethanethiol","w/o MS2:Quinolinone B_130054","w/o MS2: glycodeoxycholic acid","w/o MS2:NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one [IIN-based on: CCMSLIB00000848593]","w/o MS2:NCGC00386061-01_C29H37NO5_4bH-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indole-3,4b-diol, 2,3,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, 3-acetate, (2S,3R,4bS,6aS,12bS,12cR,14aS)-","w/o MS2:Simetryn","Olaquindox","w/o MS2: Acetochlor; LC-ESI-ITFT; MS2; CE","w/o MS2:3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acid","w/o MS2:NCGC00381058-01![3-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-5-yl] 3,5-dihydroxydecanoate","w/o MS2:vitamin K1","w/o MS2:Pesticide4_Metaflumizone_C24H16F6N4O2_(2E)-2-{2-(4-Cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene}-N-[4-(trifluoromethoxy)phenyl]hydrazinecarboxamide","w/o MS2:Methyltriphenylphosphonium","w/o MS2: Nakijiquinone O","w/o MS2:agnuside","w/o MS2:(3?,8?,9?,24E)-3-[(6-O-Acetyl-4-O-pentopyranosylhexopyranosyl)oxy]-12,16-dihydroxy-9,19-cyclolanost-24-en-26-oic acid","w/o MS2:NCGC00380759-01_C23H34O6_","w/o MS2:9-Methoxy-2,2-dimethyl-2,6-dihydro-pyrano[3,2-c]quinolin-5-one","w/o MS2:9-methanesulfinylnonanoic acid","w/o MS2: Incensole","w/o MS2:methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0?,?.0?,?.0??,??]octadecan-12-yl]prop-2-enoate","w/o MS2:Vesamicol","w/o MS2:Dofetilide (Tikosyn)","w/o MS2:Lupinine","w/o MS2:MMV688941","w/o MS2:Methaqualone","w/o MS2:Manidipine (Manyper)","w/o MS2: Nakijiquinone D","w/o MS2:4-(3-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-((E)-((4-fluorophenethyl)imino)methyl)-5,14-dihydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one","w/o MS2: Sorbitane Monostearate - Polysorbate 60 in-source fragment","w/o MS2:MMV688921","w/o MS2: 6,8-bis(morpholino-4-iummethyl)-4-oxo-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromene-5,7-bis(olate)","w/o MS2:PYRIDOXAL","w/o MS2:progesterone","w/o MS2:AAL toxin TB","w/o MS2:heliocurassavicine n-oxyde","w/o MS2:9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one","w/o MS2:3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one","w/o MS2: Chrysanthemic Acid","w/o MS2:NCGC00347503-02!8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol","w/o MS2:3-[(Z)-heptadec-10-enyl]benzene-1,2-diol","w/o MS2:methyl palmitoleate","w/o MS2:eudesmin","w/o MS2:Phosphatidylethanolamine (16:0/18:2) Abbr: PLPE","w/o MS2:Thaxtomin B","w/o MS2:Evoxine","w/o MS2:3-Ketocholanic Acid","w/o MS2:Thaxtomin C","w/o MS2:2-O-Acetyl-20-hydroxyecdysone","w/o MS2:Harpagoside","w/o MS2:NCGC00385022-01![3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate","w/o MS2: Peimisine","w/o MS2:trans-erioaustralasine hydrate","w/o MS2:Poricoic acid A","w/o MS2:Nystatin","w/o MS2:(S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(4-((tert-butoxycarbonyl)oxy)phenyl)propanoate","w/o MS2:THEOBROMINE","w/o MS2:7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone","w/o MS2: Salinomycin, Sodium","w/o MS2:8-benzyl-9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline","w/o MS2:Aurantiamide","w/o MS2:Thymidine-3',5'-cyclic monophosphate sodium salt","w/o MS2:Tri-isobutyl phosphate","w/o MS2:NCGC00386102-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate [IIN-based on: CCMSLIB00000846998]","w/o MS2: beta-Hydroxyisovaleric acid","w/o MS2:Pyridine","w/o MS2:Versicamide A","w/o MS2:Orobanchol","w/o MS2:Coumaroyl putrescin","w/o MS2:6-[[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-3-methylidene-7-oxabicyclo[4.1.0]heptane-2,4,5-triol","w/o MS2:NCGC00385205-01!7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one","w/o MS2:NCGC00380840-01_C15H19NO3_4-Methoxy-5-methyl-6-[(3-methyl-2-buten-1-yl)oxy]-1-isoindolinone","w/o MS2:C20H33N3O13S; PlaSMA ID-2855","w/o MS2:18b-glycyrrhetinic acid","w/o MS2:NCGC00180729-02!4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid","w/o MS2:6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid","w/o MS2:(2R,3R,4S,5R)-2-(6-((E)-4-hydroxy-3-methylbut-2-enylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol","Tryptophol","w/o MS2: Macamide B","w/o MS2:Puberanidine","(2aS,6aS,8aS)-10-(4-acetamido-3-methylbutyl)-6a,8a,9-trimethyl-2,2a,3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl acetate","w/o MS2:1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid","w/o MS2:NCGC00380166-01_C28H34O13_beta-D-Glucopyranoside, 4-[(1R,3aR,4S,6aS)-6a-(acetyloxy)tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl","w/o MS2:4-hydroxy-2-octylquinoline 1-oxide:Series 4 HAQ C8","w/o MS2:Leucylproline","w/o MS2:NCGC00380287-01_C28H33NO7_(1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione","w/o MS2:4-methoxy-1H-indole-3-carbaldehyde","w/o MS2: Lycopene","w/o MS2:N-Nitrosodimethylamine (NDMA)","w/o MS2:NCGC00385425-01_C21H36O11_","w/o MS2:Taurine","w/o MS2:Glycocitridine","w/o MS2:NCGC00347371-02!methyl (4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate","w/o MS2:Terfenadine","w/o MS2:MLS002153359-01!FORMESTANE566-48-3","w/o MS2:NCGC00384810-01!","w/o MS2:Fumariline","w/o MS2:Hemslecin A","w/o MS2:chelidonine","(Z)-N-hexadec-9-enoyl-L-phenylalanine","w/o MS2:Ibogaine","w/o MS2:11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","DDAO; LC-ESI-ITFT; MS2; CE","w/o MS2:1-(2-hydroxy-3-methyl)-butyl-hydrocotarnine","w/o MS2:N-Isovalerylglycine","w/o MS2:NADH","w/o MS2:4-methoxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one","w/o MS2:Versicamide D","w/o MS2:N6-(DELTA2-ISOPENTENYL)-ADENINE","w/o MS2:Allothreonine","w/o MS2:Corynoxine","w/o MS2:Flavone base + 4O, C-Pen, C-Hex","w/o MS2:NCGC00380523-01![3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate","w/o MS2:1h-indole-3-butanoic acid","w/o MS2: O-geranylconiferyl alcohol","w/o MS2:(7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(2-ethylphenyl)amino]-2,13,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaene-6,23,27,29-tetrone","Naringenin","w/o MS2:otosenine","w/o MS2:anabasamine","w/o MS2:(1R,2R,4S,7R,8S,12R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.02,4.02,8.012,18]icos-13-ene-5,15,20-trione","(3S,4S,4aS,6R,6aS,6bS,7S,8R,8aR,9S,9aS,12S,15aS,15bS,16aR,16bS)-9,12,16b-trimethyldocosahydro-1H-4,16a-epoxybenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,4,6,6b,7,8,9-heptaol","w/o MS2:Iomeprol","w/o MS2:Keracyanin Chloride","w/o MS2:NCGC00381364-01!3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","OPHTHALMATE","w/o MS2:Smenospongine","w/o MS2:Hydroxypestalotin","w/o MS2:NAD+","w/o MS2:NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2:NCGC00347714-02!(2S)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","w/o MS2:NCGC00347505-02!","w/o MS2: NCGC00169592-02_C29H46O4_3aH-Cyclopenta[a]chrysene-3a-carboxylic acid, 1-acetyleicosahydro-9-hydroxy-5a,5b,8,8,11a-pentamethyl-, (1R,3aS,5aR,5bR,9S,11aR)-","w/o MS2:Ergocristine","w/o MS2:\"(2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid\"","?-Gentiobiose","w/o MS2:(1S,3R,17S,19S)-3-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0?,??.0?,??.0?,??.0?,??.0??,??]hexacosa-4,6,10,12,14-pentaene-24,26-dione","w/o MS2: (1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0?,??.0?,??.0?,??.0?,??]tetracos-15-en-23-one","w/o MS2:Pyrrolidine; CE30; RWRDLPDLKQPQOW-UHFFFAOYSA-N","w/o MS2:Erysovine","w/o MS2:Perlargonic acid","w/o MS2: NCGC00385919-01_C20H34O_2-Penten-1-ol, 5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-, (2E)-","w/o MS2:S-Carboxymethylcysteine","w/o MS2:(+-)-Baclofen","w/o MS2:Komarovicine","w/o MS2:1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine","w/o MS2: isopsoralidin","w/o MS2: NCGC00385670-01!N-(10-hydroxy-10-methylundecyl)acetamide","w/o MS2:(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","w/o MS2: (Z)-2-(2-methoxybenzylidene)-9-(pyridin-3-yl)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:NCGC00169259-02![1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate","w/o MS2:Flemiphilippinin A","w/o MS2:4-(5-(3-(2-fluorophenyl)-4,8-dioxo-4,8,9,10-tetrahydropyrano[2,3-f]chromen-10-yl)furan-2-yl)benzoic acid","w/o MS2:2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one","w/o MS2:(2S,3R,4S,5R)-2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol","w/o MS2:Myristamidopropyl betaine","(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-28-[(3-methylphenyl)amino]-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1^{4,7}.1^{15,19}.0^{5,30}]tritriaconta-1,3,5(30),9,21,...","w/o MS2:3-Amino-9-ethylcarbazole","w/o MS2:N,N'-Dicyclohexylthiourea","w/o MS2: diacetylsongorine","w/o MS2:Bernardioside A","w/o MS2:L-kynurenine","w/o MS2:8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one","w/o MS2:T-2 Toxin","w/o MS2:NCGC00179767-02_C38H54O13_Estra-1,5-diene-3,11-dione, 17-[(1R,3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (9beta,10alpha,17beta)-","w/o MS2:NCGC00381130-01!methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate [IIN-based on: CCMSLIB00000846918]","w/o MS2:(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23R,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0?,??.0?,?.0??,??.0??,??.0??,??]hexacosane-10,12,13,14,16,22,23-heptol","w/o MS2: N,N'-((7S,7'S)-(hexane-1,6-diylbis(azanediyl))bis(1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-10,7-diyl))diacetamide","w/o MS2:(R)-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2,6-diaminohexanoate dihydrobromide","w/o MS2:O-PHOSPHO-DL-SERINE","w/o MS2:XANTHURENIC ACID","w/o MS2:C30H43NO14; PlaSMA ID-3112","w/o MS2:CHOLESTEROL","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[4-carbamoyl-4-(piperidin-1-yl)piperidin-1-yl]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),...","w/o MS2:Anandamide O phosphorylcholine from Mulder Biochemistry 2006 45 38 11267 11277","w/o MS2:Bestatin","w/o MS2:3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one","w/o MS2:Splendoline","w/o MS2:reserpine","w/o MS2:Agmatine sulfate salt","w/o MS2:NCGC00347499-02_C50H65NO13_(7E,11E)-17-({4,6-Dideoxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)amino]-3-C-methylhexopyranosyl}oxy)-27-hydroxy-3,6,8,12,14,20,22-heptamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0~1,6~.0~13,22~.0~16,21~]heptacosa-4,7,11,14,24(27)-pentaene-4-carboxylic acid","w/o MS2:1,1-Dimethyl-4-phenylpiperazinium","w/o MS2:FA 18:3+1O; PlaSMA ID-1517","w/o MS2:L-Lysine","w/o MS2:Flunixin","w/o MS2:1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol","w/o MS2:Carmabin A","w/o MS2:1-Benzylimidazole","w/o MS2:NCGC00385295-01_C48H60N6O16_","w/o MS2:Gyromitrin","w/o MS2:Levetiracetam","w/o MS2:NCGC00169400-02!methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate","w/o MS2:Scytonemin A","w/o MS2: 4-hydroxy-4-(pyridin-2-yl)butan-2-one","w/o MS2:N-((7S)-10-(((2S)-1-(2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl)-4-(methylthio)-1-oxobutan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","w/o MS2:22-hydroxy-7-hopanone","w/o MS2:Tubulysin A","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-26-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9...","w/o MS2: MMV687703","w/o MS2:5-O-methylvisammioside","w/o MS2:Militarine","w/o MS2:Microcolin B","w/o MS2:Olopatadine","w/o MS2:Microcolin E","w/o MS2:Citric acid","w/o MS2:GE-20372-A/B","w/o MS2:Microcolin G","w/o MS2: NCGC00381398-01_C17H26O4_6-[(2E,4E)-4,6-Dimethyl-2,4-octadienoyl]-2,3-dihydroxy-2-methylcyclohexanone","w/o MS2:2-amino-3-[[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulfanyl]propanoic acid","w/o MS2: (1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0?,?.0?,?.0??,??]nonadec-18-en-13-ol","w/o MS2:(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol","w/o MS2:NCGC00381355-01!3-(4-methoxy-6-oxopyran-2-yl)butanoic acid","w/o MS2:NCGC00381197-01!2,3-dihydroxypropyl 12-methyltridecanoate","w/o MS2:Caryophyllene [T(-)]","w/o MS2:DETHIOBIOTIN","w/o MS2:Hernandezine","w/o MS2:1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine","w/o MS2:tert-butyl (1-(4-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)butanoyl)piperidin-4-yl)carbamate","w/o MS2:NCGC00385110-01_C20H38O2_(2R)-1-(5-Hydroxy-3-methylpentyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol","w/o MS2:C10H7NO4; PlaSMA ID-693","w/o MS2:(1R,4R)-bis((1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-yl) 1-phenyl-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate","w/o MS2:Pseudolaric acid B-O-beta-D-glucopyranoside","w/o MS2:Proline betaine; CE0; CMUNUTVVOOHQPW-LURJTMIESA-N","w/o MS2:Binospirone","LysoPC(0:0/18:0)","w/o MS2:GUANOSINE 5,9;-DIPHOSPHO-D-MANNOSE","w/o MS2: 5-[1,2,4a-trimethyl-5-(3-methylbutanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","w/o MS2:NCGC00381174-01!3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid [IIN-based on: CCMSLIB00000848436]","w/o MS2:Puerarin","w/o MS2:asterric acid","Tributylamine","w/o MS2:(E)-2-decylpent-2-enedioic acid","w/o MS2:N-[5-[[4-[4-[acetyl(hydroxy)amino]butylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide","w/o MS2:NCGC00384824-01!methyl 3-hydroxy-2-[[3-hydroxy-2-[[2-[(3-hydroxy-2,4-dimethyltetradecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]propanoate","w/o MS2:NCGC00380220-01!3-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one [IIN-based on: CCMSLIB00000847818]","w/o MS2:PROTOVERATRINE A","w/o MS2: 6,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran","w/o MS2:Prolylproline","w/o MS2:Spirostane -2H, + 2O, O-Hex-dHex-dHex","Baccatin III","w/o MS2:N-lauroylethanolamine","w/o MS2:reserpinine","w/o MS2:Mascaroside I","w/o MS2:1-O-trans-cinnamoyl-beta-D-glucopyranose","w/o MS2:Atenolol","w/o MS2:NCGC00168939-02!8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]","w/o MS2:NCGC00380113-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based: Match]","w/o MS2:Phosphatidylethanolamine (20:3/16:1) Abbr: hLPoPE","w/o MS2:Luteolin 7-glucoside","w/o MS2:ERGONOVINE MALEATE","w/o MS2:Eltrombopag (SB-497115-GR)","w/o MS2:Harmaline hydrochloride dihydrate","w/o MS2:1beta-Hydroxydehydrotrametenolic acid","w/o MS2:Hydromorphone","w/o MS2:(10S,13R)-5,14-dihydroxy-3-(((2R,4S,6R)-4-methoxy-6-methyl-5-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","w/o MS2:[(2S,3R,4S,5R,6R)-5-hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate","w/o MS2:Arabinofuranosyluracil","w/o MS2:Propylthiouracil","w/o MS2:Benzyl-2-naphthylether","w/o MS2: 3-(2-amino-2-oxoethyl)-5-methyl-hexanoic acid","w/o MS2:NCGC00380212-01![3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate [IIN-based on: CCMSLIB00000845935]","w/o MS2:NCGC00384977-01_C21H28O10_2-Hydroxycyclohexyl 2-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside","w/o MS2:C21H20O4; PlaSMA ID-1843","w/o MS2:NCGC00347551-02_C23H31NO5_(2R,2'R,4a'S,6'S,7'R,8a'S)-4,6',7'-Trihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7,7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6(3H)-one","w/o MS2:Azacyclonol","w/o MS2:delta-Tocotrienol","w/o MS2:NCGC00179742-02_C15H22O5_3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (5aS,6R,8aS,9R,12S,12aR)-","w/o MS2:Isoleucylvaline; PlaSMA ID-915","w/o MS2:2-Hydroxyisobutyric acid","w/o MS2:NCGC00381131-01_C27H41NO6_(7E)-11-Hydroxy-3-isobutyl-4,5,8,13,13-pentamethyl-3,3a,4,6a,9,10,11,11a,14a,15-decahydro-1H-[1,3]dioxolo[9,10]oxacyclododecino[2,3-d]isoindole-1,16(2H)-dione","w/o MS2:Euphoractine R from S.guyanensis","w/o MS2: NCGC00160344-01!4N-butyl-ajmalinium","w/o MS2:NCGC00385530-01!(E)-5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid","w/o MS2:3-Acetylmesaconitine","w/o MS2:NCGC00384598-01_C30H42O8_(1bS,4aR,7bS,8R,9R,9aS)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-[(2-methylbutanoyl)oxy]-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2E)-2-methyl-2-butenoate","w/o MS2:(7S,9E,11S,12R,13S,14S,15S,16R,17S,18S,19E,21Z)-26-{4-[(furan-2-yl)carbonyl]piperazin-1-yl}-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,2...","w/o MS2:Cimicidanol-3-O-alpha-L-arabinoside","w/o MS2:UK-343664","w/o MS2:\"(4R)-4-((1R,3S,5S,7R,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid\"","w/o MS2: NCGC00380193-01!16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)oxan-2-yl]oxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3,15-dihydroxyhexadecanoic acid","w/o MS2: DL-Dihydrozeatin","w/o MS2:NCGC00381186-01_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","w/o MS2:4-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid","w/o MS2:(2R,3R,4S)-6-(((2R,4S)-6-(((2R,4S,6R)-6-(((10S,13S,17S)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl acetate","w/o MS2:NCGC00347814-02_C29H37NO13_","w/o MS2: alpha-santonin","w/o MS2:NCGC00385231-01_C26H44O8_{(1S,2R,4aS,5R,8aS)-2-Hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl beta-D-threo-hexopyranoside","w/o MS2:N,N-Dimethyl-N'-p-tolylsulphamide","w/o MS2:(5R)-5-[(1S,2S,3R,4R)-3-[(4E)-hex-4-enoyl]-6-[(2E,4E)-hexa-2,4-dienoyl]-5,7-dihydroxy-4,7-dimethyl-8-oxobicyclo[2.2.2]oct-5-en-2-yl]-4-hydroxy-3,5-dimethyl-2,5-dihydrofuran-2-one","w/o MS2: Ifenprodil","w/o MS2:Utilin","w/o MS2:N-(3-Methoxybenzyl)oleamide","w/o MS2:NCGC00385493-01!methyl 7-(2-methylpropanoyloxy)-2-oxochromene-6-carboxylate [IIN-based on: CCMSLIB00000846815]","sn-Glycero-3-phosphocholine","w/o MS2:Rhodamine B","w/o MS2:zinniol","w/o MS2:Threonylleucine (isomer of 925, 926)","w/o MS2:Andrographolide","w/o MS2:NCGC00384632-01![(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","w/o MS2:Erythromycin A enol ether","w/o MS2:1,1'-(((methylenebis(oxy))bis(4,1-phenylene))bis(methylene))bis(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) carboxyformate","w/o MS2:Brucine - CASMI2016 Category 1 - Challenge 9","w/o MS2:Phenylglycine","w/o MS2:h_61_17_epioxandrolone","w/o MS2:NCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate","w/o MS2:3-O-beta-(6''-trans-caffeoyl)-galactopyranosyl quercetin","w/o MS2:Leucylleucine; PlaSMA ID-1025","w/o MS2:Norepanorin","w/o MS2: NCGC00095546-02!2,4-dihydroxyheptadec-16-enyl acetate","w/o MS2:7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl acetate","w/o MS2:Rosamicin","w/o MS2:C11H16O2; PlaSMA ID-503","w/o MS2:Azaconazole","w/o MS2:Antipain","w/o MS2:2-(4-oxoquinazolin-3(4H)-yl)ethyl isobutyrate","w/o MS2:Tulipinolide","w/o MS2:Exemestane (2M+Na)","w/o MS2: taurohyocholic acid","w/o MS2:Spinosin B","w/o MS2:berberine chloride","w/o MS2:UROCANATE","w/o MS2:NCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate [IIN-based on: CCMSLIB00000847525]","Tanshinone IIA","w/o MS2:Indaconitine","w/o MS2:NCGC00385836-01!3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid [IIN-based: Match]","w/o MS2:(2R,3S,4S,5S,6R)-2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-methyloxane-3,4,5-triol","w/o MS2:6,7-dimethoxy-1-phenyl-8H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-8-one","w/o MS2:(10E,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid","w/o MS2:Nivalidine","w/o MS2:sodium (E)-2-((4S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoate","w/o MS2:NCGC00380822-01!1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","w/o MS2: 5-O-methylvisammioside","w/o MS2:ANETHOLE","w/o MS2:NCGC00179862-03_C20H32O2_1-Naphthalenecarboxaldehyde, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1R,4aR,5S)-","w/o MS2:(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one","w/o MS2:C12H14O4; PlaSMA ID-846","w/o MS2:(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26,27-heptol","w/o MS2:Pazufloxacin","w/o MS2:Naltrindole","w/o MS2:Astragaloside Iv","w/o MS2: lapidin","w/o MS2:NCGC00178041-02!(2R,3R)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one","w/o MS2: Pesticide2_Benfuracarb_C20H30N2O5S_Oncol","w/o MS2:Dibenzylamine","w/o MS2: Bipleiophylline","w/o MS2:Thalsimidine","w/o MS2:Iloperidone (Fanapt)","N,N-Dimethyltetradecylamine-N-oxide","w/o MS2: Stearamide","w/o MS2:Tricaprin (C10:0)","w/o MS2:Scytonemin","w/o MS2:7,13,17-O-Triacetyl-5-O-(2-methylbutyryl)-3-O-propanoyl-14-oxopremyrsinol","w/o MS2:Emericellamide A","w/o MS2:7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid","w/o MS2:Betamethasone-17-valerate","w/o MS2:NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid [IIN-based on: CCMSLIB00000846288]","w/o MS2:5-[(4S,8aS)-4-acetyloxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid","w/o MS2: MLS002154120-01!Penbutolol sulfate38363-32-5","w/o MS2:Senenciphylline","w/o MS2:4-(2,7-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid","w/o MS2:Epanorin","w/o MS2:Piroxicam","w/o MS2:3-Acetylaconitine","w/o MS2:Cytidine-3',5'-cyclicmonophosphate","w/o MS2: Atenolol acid; LC-ESI-ITFT; MS2; CE","w/o MS2:6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one","w/o MS2:NCGC00384508-01!2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid","w/o MS2:Stevioside","w/o MS2:humulone","w/o MS2:Pseudohypericin","w/o MS2:NCGC00017182-04!3-methoxy-2-phenylfuro[2,3-h]chromen-4-one","Sebuthylazine","w/o MS2:(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate","w/o MS2:Dehydroeburicoic acid monoacetate","w/o MS2:Arginine conjugated cholic acid","w/o MS2:2-Hydroxyphenanzine-1-Carboxylic acid","w/o MS2:(R)-2-((S)-2-((S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-methylbutanamido)propanoic acid","w/o MS2:NCGC00179585-04_C35H42N2O9_Cinnaloid","w/o MS2:Daidzein 7-O-glucoside","w/o MS2:Mureidomycin B","w/o MS2:NCGC00169804-02_C15H18O3_(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione","w/o MS2:Coumarin","w/o MS2:Izenamide C","w/o MS2:NCGC00381089-01_C41H64O15_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23-Dihydroxy-28,29-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose","w/o MS2:h_7_epitestosterone","w/o MS2:NCGC00180218-02!","Daidzein","w/o MS2: (Z)-9-(1-isopropyl-1H-pyrazol-5-yl)-2-(3,4,5-trimethoxybenzylidene)-8,9-dihydro-2H-furo[2,3-f]chromene-3,7-dione","w/o MS2:Resistomycin","w/o MS2:Lauric isopropanolamide"],"pubmed_abstract":["Microbial genetic variation plays a crucial role in shaping host-microbe interactions; however, its impact on healthy aging remains largely unexplored. This study investigates how genetic variations in gut-residing Saccharomyces cerevisiae affect the health and lifespan of Drosophila melanogaster. This study identifies 14 yeast mutants that significantly extended the lifespan of D. melanogaster, with 13 mutants enhancing locomotor function in aged flies and two mutants improving reproductive capacity. Metabolomic and proteomic analyses reveal that these mutant yeasts rejuvenate the metabolic state of the aging gut and alter protein levels in tissues outside the gut. Most of the proteins with at least a two-fold change are upregulated. The data also highlights mitochondrial energy metabolism as a key anti-aging mechanism driven by the yeast. Notably, terpenoid metabolites such as ergosterol acetate showed strong lifespan-extending effects and may influence energy metabolism. In conclusion, these findings establish a strong link between gut metabolic status and healthy aging, underscoring the significance of the microbial-host mitochondrial axis as a key mechanism by which gut microbes promote host health and longevity. Furthermore, genetically engineered probiotics in model organisms offer a promising potential strategy for extending healthy lifespan, thus meriting further investigation in translational research models."],"pubmed_title":["Gut Microbial Genetic Variation Prolongs Host Healthy Longevity and Remodels Metabolome and Proteome in Drosophila Melanogaster."],"pubmed_authors":["Wang Liying L, Yang Ziling Z, Pang Yulu Y, Wu Xinyue X, Zhang Xinrong X, Zhu Tao T, Ding Xiaoyue X, Liu Wei W, Zhou Yuan Y, Zhang Pengcheng P, Li Ying Y, Zhu Zuobin Z"],"additional_accession":[]},"is_claimable":false,"name":"Comprehensive Untargeted Metabolomics Dataset of Saccharomyces cerevisiae Aging-Associated Mutants and Yeast–Host Interactions in Drosophila melanogaster","description":"Aging is a complex biological process influenced by genetic factors, environmental conditions, and interactions between organisms and their associated microbes. The budding yeast Saccharomyces cerevisiae and the fruit fly Drosophila melanogaster provide complementary model systems for investigating conserved metabolic processes associated with aging and longevity. However, comprehensive metabolomic resources describing how aging-associated microbial genetic alterations influence host metabolic states remain limited.
In this study, we generated a comprehensive untargeted metabolomics dataset to characterize metabolic alterations associated with aging-related S. cerevisiae deletion strains and their interactions with the D. melanogaster host. The dataset includes liquid chromatography–mass spectrometry (LC–MS)-based metabolomic profiles from 15 yeast strains, including the BY4743 control strain and 14 aging-associated deletion strains, as well as host metabolomic profiles from Drosophila tissues exposed to different yeast interventions. Host samples include intestinal and non-intestinal tissues collected at different life stages, enabling assessment of tissue-specific and age-associated metabolic responses to yeast genetic perturbations.
The generated dataset contains raw and processed metabolomics data, metabolite annotation information, and comprehensive sample metadata describing biological conditions, genetic backgrounds, tissue sources, intervention groups, and experimental parameters. These data provide a reusable resource for studying yeast-derived metabolic regulation, microbe–host interactions, and age-associated metabolic remodeling.
This metabolomics resource facilitates integrative analyses of microbial genetic variation, host metabolic adaptation, and conserved aging-related pathways, and supports future investigations into the molecular connections between microbial factors and host physiology.
","dates":{"publication":"2026-09-04","submission":"2026-09-04"},"accession":"MTBLS15555","cross_references":{"pubmed":["41013900"]}}