MetaboLights

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metabolites were identified by accuracy mass and MS/MS data which were matched with HMDB (http://www.hmdb.ca), massbank (http://www.massbank.jp/), KEGG (https://www.genome.jp/kegg/), LipidMaps (http://www.lipidmaps.org), mzcloud (https://www.mzcloud.org) and the metabolite database bulid by Panomix Biomedical Tech Co., Ltd. (Shuzhou, China). The molecular weight of metabolites was determined according to the m/z (mass-to-charge ratio) of parent ions in MS data. Molecular formula was predicted by adduct ion, and then matched with the database to realize MS identification of metabolites. At the same time, the MS/MS data from quantitative table of MS/MS data, were matched with the fragment ions and other information of each metabolite in the database, so as to realize the MS/MS identification of metabolites.MetaboLightsPublicLiquid Chromatography MS - negative - reverse phaseLiquid Chromatography MS - positive - reverse phaseThe LC analysis was performed on a Vanquish UHPLC System (Thermo Fisher Scientific, USA). Chromatography was carried out with an ACQUITY UPLC ® HSS T3 (2.1× 100 mm, 1.8 µm) (Waters, Milford, MA, USA). The column maintained at 40°C. The flow rate and injection volume were set at 0.3 mL/min and 2 μL, respectively. For LC-ESI (+)-MS analysis, the mobile phases consisted of (B2) 0.1% formic acid in acetonitrile (v/v) and (A2) 0.1% formic acid in water (v/v). Separation was conducted under the following gradient: 0-1 min, 8% B2; 1-8 min, 8%-98% B2; 8-10 min, 98% B2; 10-10.1 min, 98%-8% B2; 10.1-12 min, 8% B2. For LC-ESI (-)-MS analysis, the analytes were carried out with (B3) acetonitrile and (A3) ammonium formate (5mM). Separation was conducted under the following gradient: 0-1 min, 8% B3; 1-8 min, 8%-98% B3; 8-10 min, 98% B3; 10-10.1 min, 98%-8% B3; 10.1-12 min, 8% B3.Bifidobacterium animalis subsp. lactis V9 Overcomes CYFRA 21-1-Linked Immunochemotherapy Resistance in NSCLC via Microbial Metabolites.Cuijiao Fenginner mongolia agricultural universityfecesmass spectrometry assayChemicals and reagents:LC-MS grade methanol (MeOH) was purchased from Fisher Scientific (Loughborough, UK). 2-Amino-3-(2-chloro-phenyl)-propionic acid was obtained from Aladdin (Shanghai, China).InstrumentsHigh speed freezing centrifuge was obtained from Hunan Xiangyi Experiment Equipment Co., Ltd. (Hunan, China). Vortex mixer was obtained from Haimen Kylin-bell Lab Instruments Co., Ltd. (Haimen, China). Ultrasonic cleaner was obtained from Kunshan Shumei Experiment Equipment Co., Ltd. (Kunshan, China). Tissue grinder was obtained from Zhejiang Meibi Experiment Equipment Co., Ltd. (Zhejiang, China). Microporous membrane filters (0.22 µm) were purchased from Tianjin Jinteng Experiment Equipment Co., Ltd. (Tianjin, China).Sample preparation:1. Accurately weigh an appropriate amount of sample into a 2 mL centrifuge tube, add 600 µL MeOH (Containing 2-Amino-3-(2-chloro-phenyl)-propionic acid (4 ppm), vortex for 30 s;2. Add steel balls, placed in a tissue grinder for 120 s at 50 Hz;3. Room temperature ultrasound for 10 min;4. Centrifuge for 10 min at 12,000 rpm and 4℃, filter the supernatant by 0.22 μm membrane and transfer into the detection bottle for LC-MS detection.Mus musculusHomo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS13296Cuijiao Feng. inner mongolia agricultural university. 18829285357@163.com.Data preprocessingThe raw data were firstly converted to mzXML by MSConvert in ProteoWizard software package (v3.0.8789) and processed using R XCMS (v3.12.0) for feature detection, retention time correction and alignment. Key parameters settings were set as follows: ppm = 15, peakwidth = c (5, 30), mzdiff = 0.01, method = centWave. The batch effect was then eliminated by correcting the data based on QC samples. Metabolites with RSD > 30% in QC samples were filtered and then used for downstream analysis.Treatment18829285357@163.comThe origin of sample comes from Homo sapiens or Mus musculus feces with no any treatment and have only one timepointMetabolomicsFecaluntargeted metabolitesSerumnon-small cell lung carcinomaFecaluntargeted metabolitesSerumnon-small cell lung carcinomaMass spectrometric detection of metabolites was performed on Orbitrap Exploris 120 (Thermo Fisher Scientific, USA) with ESI ion source. Simultaneous MS1 and MS/MS (Full MS-ddMS2 mode, data-dependent MS/MS) acquisition was used. The parameters were as follows: sheath gas pressure, 40 arb; aux gas flow, 10 arb; spray voltage, 3.50 kV and -2.50 kV for ESI(+) and ESI(-), respectively; capillary temperature, 325°C; MS1 range, m/z 100-1000; MS1 resolving power, 60000 FWHM; number of data dependant scans per cycle, 4; MS/MS resolving power, 15000 FWHM; normalized collision energy, 30%; dynamic exclusion time, automatic.O-1821Prostaglandin G2Methionine sulfoximineAdefovir DipivoxilNP-010288Alantolactonelicoagroside Bgamma-Aminobutyric acidEctoineazoxystrobin acidKinetinLeupeptin Pr-LL4,4'-Dihydroxy-alpha-methylstilbenePropoxyphenetrazodone hydrochlorideN-Benzoyl-4-methoxyanthranilateLupinineMegastigmatrienoneN-Acetyl-D-tryptophanFlunarizine 2HClNP-020078PS(18_1(9Z)_0_0)IpratropiumTributylphosphine oxideProstaglandin E2Prostaglandin E13-hydroxy-C10-homoserine lactoneN-Amidino-L-glutamateN-Benzoyl-4-hydroxyanthranilateN6-Acetyl-L-lysine(R)-flurbiprofenMolindone13S-hydroxyoctadecadienoic acidCyclopentynafilNP-0039607-DehydrodesmosterolNP-022238NP-001798LamivudineFesoterodine fumarate (Toviaz)1H-indole-2,3-dione 3-[N-(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazone]Caffeic acid4-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]butanoic acid hydrochloride(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???,?a??.0?a???,????.0?a???,???a]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-oneNP-01594716-OxopalmitateRitodrine3-hexanoyl-NBD CholesterolN-Acetylneuraminic acidLevetiracetamMLS001048955-01!2,2-dimethyl-4,10-dihydro-3H-pyrano[2,3-b]quinolin-5-oneVindolineYohimbineD-Lyxose(Z)-NeoxanthinXanthurenic acidNP-017710FlorasulamN1-[5-(2-furyl)-3-methylisoxazol-4-yl]-2,2-dimethylhydrazine-1-carboxamideNCGC00380159-01_C33H52O13_trans-Isoasaronegamma-actinorhodinNCGC00381274-01_C18H34O12_3-Hydroxy-3-(hydroxymethyl)-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside4-oxododecanedioic acidProstaglandin D1Gentamicin ABENZETHONIUMCarmabin A3alpha,11beta-Dihydroxy-5alpha-androstane-17-onedisodium 5'-guanylateLithocholic acid glycine conjugateNeamine(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid16-HydroxytabersonineFluvoxamineDL-PPMP3-Methyladenine4-HydroxypropranololTeraspiridole C_130091IndoleTepraloxydimLovastatin3-MethylindolepyruvateDextromethorphanProstaglandin A1Nandrolone glucuronidePeonidin 3-(6''-acetyl)glucosideBeta-tocopherolMethyl methanethiosulfonate3-MethyloxindoleIcaridinL-CarnitineLeupeptinVenlafaxineD-LysopinePEG Monolaurate n4AdenosineCLOPIDOLNP-003536Dihydroactinidiolide9-OxoODEdIMPN-lignoceroyl-5-hydroxytryptamideProstaglandin B12-(3,4-Dimethoxyphenyl)-5-methylamino-2-isopropylvaleronitrileNP-015980Guanidoacetic acidNCGC00347643-02_C30H46O3_(5xi,9xi,13xi,18xi,19beta)-3-Oxolup-20(29)-en-28-oic acidLinoleic acidSodium (2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl phosphateMLS001160390-01!4-[[[2-[(8,8-dimethyl-2-oxo-4-propyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]methyl]cyclohexane-1-carboxylic acidCarfentanilCampesterol2,3-Dinor-8-iso prostaglandin F2alpha5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamideSorbose 1-phosphateAcylated phloroglucinolTangeretinMLS002154073-01!Denatonium benzoate3734-33-6MelatoninL-Phenylalanineindigo carmineN-Butyryl-L-homoserine lactoneMethyl farnesoateMorphinoneOleanolic acidVaccenic acidSphingosineFlavin adenine dinucleotide disodiumCarbendazimUracil 5-carboxylatePyriproxyfen(5R)-3-[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-5-(hydroxymethyl)-1-methyl-2,5-dihydro-1H-pyrrol-2-oneNicotinamide riboside20-trifluoro-LTB4Luteolin 7-galactoside3,4-DihydroanhydrorhodovibrinCyclobenzaprineMMV676377N(omega)-HydroxyarginineNeriifolinalpha-SpinasterolGeranyl acetateN-(alpha-Linolenoyl) TyrosineStearolic acidN-MethylparoxetineCyclopeptineMLS001140258-01!(2S)-2-[[(2S)-4-methyl-2-[[2-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoic acidMLS002153946-01!TetrandrineN,N-Diisopropylethylamine (DIPEA)QuinmeracAminomalonic acid1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3-heptanoneLauryltrimethylaminium bromide(2S,3R,4S,5S,6R)-2-[4-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol7-Oxobenz[de]anthraceneD-Ornithine hydrochlorideIrganox 1035Flunisolide1-Stearoyl-2-Arachidonoyl PC3-Acetyl-2,5-dimethylfuranRiboflavin reduced(3S,9aS)-3-benzyl-octahydro-1H-pyrido[1,2-a]pyrazin-1-one2-[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl]-6-methoxy-4-(prop-2-en-1-yl)phenol4-Fumarylacetoacetate(1S,4aS,7R,7aS)-7-hydroxy-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acidSulfamethizolePefloxacinavicularin(1H-Indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanoneN-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-furamideLSM-4504SSR146977DL-PDMP (hydrochloride)Acetylcholine chlorideMCHB-1VeratramineLevonorgestrelDIHYDRO TANSHINONENP-014287Pipecolic acidNopalineGlucose 6-phosphateGitoxigenin DiacetateMirtazapineMethotrimeprazineOxysporidinone_130003NP-006656Stearic acid8-Demethylnovobiocic acidCannabigerolate(S)-CanadineBeta-TyrosineN,N'-Dicyclohexylurea6-Hydroxynicotinic acidTaxusinL-2,4-diaminobutyric acidoxalineSulfanilamideEuphorbiasteroidGeranic acidIngenol-3-angelateCAY105995-Guanidino-3-methyl-2-oxopentanoateKHIVORINDiundecyl phthalateMLS000876952-01!3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol16-Methoxy-2,3-dihydro-3-hydroxytabersonineCAY10590DUARTIN (-)1,5-AnhydrosorbitolNP-01511724-Noroleana-3,12-dieneLY255283NP-002271Thyrotropin releasing hormone(2R)-5-hydroxy-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneCarbimazoleMLS000860060-01!VER-3323 hemifumarate salt13,16,19-Docosatrienoic acidPC(14_0_0_0)ThymineNP-0164371-MethyladenosineTamsulosin3-Keto-4-methylzymosterolD-RiboseNAGABAL-Alanyl-gamma-D-glutamyl-L-lysineLicochalcone AAvermectin A1b aglycone1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanoneTrospiumMegestrol acetatePirbuterolL-Threonine2-Aminophenolalpha-HydroxymetoprololAndrographolideDisperse yellow 9L-Leucine8-Ethyl-12-methyl-3-vinylbacteriochlorophyllide d6-hydroxy-5-methoxy-2-phenyl-4H-chromen-4-oneSildenafil analogue4-HexyloxyanilineCatechol1-palmitoylglycerophosphocholineNorsanguinarineRutarensinNCGC00347377-02_C41H66O14_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23-Dihydroxy-28-oxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranoseNCGC00347875-02!2,4-bis(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diolAM404DL-Homocystine10E,12Z-Octadecadienoic acid13-L-Hydroperoxylinoleic acidPGF2alpha diethyl amide11-Aminoundecanoic acidLoperamideMDMA Methylene homologTrimethoprim impurity CCalcitriolEthyl icosapentateFenfluramineMLS002154065-01!Thonzonium bromide553-08-2ColumbamineBioresmethrinCAY10603OrlistatThiamethoxamTriethylgallamine4,4'-DiisocyanatodicyclohexylmethaneOrnibactin C6Ornibactin C8Soyasapogenol BDecarbamoyloxysaxitoxinLansoprazoleVidarabinePC(6_0_6_0)Victoria Pure Blue BOCortivazolL-Kynurenine(2,6-dimethylmorpholino)(1-methyl-5-nitro-1H-pyrazol-4-yl)methanoneCreatinediuron-desmethylTrimeprazineFragransin B2IsoandrocymbineDiaveridine2-Methylserine1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehydeDiisodecyl phthalateNCGC00380425-01!1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one2-[2-(2,6-Dimethylmorpholino)-2-oxoethoxy]phenyl N,N-dimethylcarbamate(1S,4aS,7R,7aS)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidNCGC00347566-02_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)-N6-Methyl-2'-deoxyadenosineXanthoxinNP-017382RivenprostParathion-methyl(3E,9E)-5,6-dihydroxy-14-isobutyl-9,12,13-trimethyl-6,7,8,10a,13,13a,14,15-octahydro-2H-[1]oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglyconeGentamicin C1aMLS000515960-01!NP-007111BrassinolideTumonoic Acid ETumonoic Acid HIonomycinDesmosterolEupholNCGC00180414-02!2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-methoxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid2,4-diaziran-1-yl-6-(1-phenyl-1H-pyrrol-2-yl)-1,3,5-triazineMethylgingerolHarmaline4-HydroxytamoxifenNP-021863Xanthopterin-B2Procarbazine hydrochloride4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-olCanrenone3-hydroxy-tetradecanoic acidDiphenhydramineNP-016035Enniatin B15-KETEJWH 018 N-pentanoic acid metabolitedAMPNP-005394Caryophyllene [T(-)]1-Oleoyl Lysophosphatidic Acid (sodium salt)2-[2-(2-acetamido-4-methylpentanamido)propanamido]-3-hydroxypropanoic acidMLS000736975-01!Amobarbital2'-Deoxycytidine 5'-diphosphate sodium saltPlastoquinol-91-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholineTripelennamineBeta-Leucine2-carboxy-PyrimidineL-Histidine trimethylbetaineN-Acetyl-L-phenylalanineSumatriptantrans-Zeatin-7-beta-D-glucosideDihydroxyacetone phosphatetridecanalD-MaltoseFluprostenol serinol amide7-MethyladenineNP-008474SaccharopineJWH030TyramineGranisetron[6]-Shogaol3-Vinyl-1,2-dithiacyclohex-4-ene12-Hydroxydodecanoic acidDIHYDROGAMBOGIC ACIDDeoxyadenosineNP-019126Cysteinylglycine(2R,3R,4S,5S,6R)-2-[(3Z)-hex-3-en-1-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol3-Deazaneplanocin AEdrophoniumfenticonazole nitrateNSC 237665'-Phosphoribosyl-N-formylglycinamideL-GlnNCGC00380446-01_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)-dioneStigmastanolDiethylcarbamazinePesticide3_Propoxur_C11H15NO3_BaygonHydroxyphenyllactic acid18-carboxy dinor Leukotriene B4Salicylic acid4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-olManidipine3,5-DMACholineepsilon-CaprolactoneCapsidiolNCGC00179940-02_C39H64O13_beta-D-Glucopyranoside, 3,23-dihydroxyspirostan-6-yl 6-deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-CARBETAPENTANEMLS001141004-01!1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamideMonocrotalineAcetylcysteinePRZ_M282(7'R)-(+)-Lyoniresinol 9'-glucosideGentian VioletUmbelliferyl ArachidonateAsymmetric dimethylarginine(6Z)-Octadecenoic acid9,16-dihydroxy-6-(hydroxymethyl)-2,6,11-trimethyl-14-oxo-15-oxatetracyclo[8.7.0.0??,???.0?a??,?a???]heptadec-12-en-8-yl acetateBetulinBis(4-ethylbenzylidene)sorbitol(2S)-FlavanoneFOSFOSALExemestaneZeaxanthin-myristateMBZPAUDA3-DehydroteasteronePalmitoyl-L-carnitineL-Aspartic acidZingibereneProtoporphyrin IX6-hydroxy ChlorzoxazoneDihydrocholesterolL-TarginineMenthyl pyrrolidone carboxylate6-Hydroxy-1-(hydroxymethyl)-5-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl propylcarbamateMethyllycaconitineNP-0138543-O-feruloyl-D-quinic acidMifepristoneEpsilon-caprolactamp-Aminobenzoic acidMLS001165768-01!FINASTERIDE98319-26-75alpha-Ergosta-7,22-diene-3beta,5-diolThiocholesterolCimetidineDethiobiotinC16 Lactosyl Ceramide (d18_1_16_0)3-Acetoxyurs-12-en-23-oic acid1-(3,4-dimethylphenyl)-3-piperidinopyrrolidine-2,5-dioneIndole-3-carboxylic acidIrinotecanMethyl gibberellin A9NCGC00385760-01!(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one(R)-ar-TurmeroneLevorphanolBiotin-NHSval-leu-pro-val-pro5-MethoxytryptopholPropiomazineMethyl Deoxycholate1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholinePhosphoglycolic acidMLS001076487-01!Ouabain octahydrate1-PHENYLBIGUANIDE2-MethoxyresorcinolCDPAspartameUDP-a-D-Galactose disodium salt(plusmn)alpha-CMBHCAminoglutethimideN1,N12-DiacetylspermineNP-021292ThiolutinCommunesin A (identified trough in silico generated spectrum)PholcodineDehydroabietic acidVasicinone1-[2-(2-Chlorophenyl)-5-(3-pyridyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-oneBiotinGMPPhytyl diphosphateL-ProlineHydromorphoneBoc-Pro-DVal(NMe)-Val-OMeBuflomedil1-MethylxanthineTributyl citrateArtemetinMyclobutanilMethylphenidateN-Arachidonyl dopamineCarbofuranHydroxykynurenine5-Nitro-2-(3-phenylpropylamino)benzoic acidAucubinKanamycin Balpha-TocopherolAurilide Besculin hydrate1,2,3-TrihydroxybenzeneButyrylcarnitineL-AsparagineCannabinolimidocarbOleic acidMethyl diacetoxy-10-gingerdiol4-methoxy-6-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-2H-1,3-benzodioxoleLorazepamDicyclomineMethyl FexofenadineNCGC00380573-01_C37H50O10_2-Butenoic acid, 2-methyl-, 5-(acetyloxy)-8-(3-furanyl)hexadecahydro-1,1,5a,7a,10b-pentamethyl-7-(2-methyl-1-oxopropoxy)-3-oxooxireno[1',5']cyclopenta[1',2'_5,6]naphth[2,1-c]oxepin-11-yl ester, (2E)-D-erythro-Sphingosine C-15N-Acetyl-L-glutamate 5-semialdehydeNCGC00385008-01!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 acidMoupinamideO-1918Heptanoyl thio-PCLinatine2-Amino-2-deoxyisochorismateNCGC00170014-03!(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamidePGF1alpha AlcoholNCGC00381318-01![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-methylpentanoateMLS002207125-01!Sarafloxacin hydrochloride trihydrate91296-87-6MMV676063GuanosineSinapyl alcoholBisdemethoxycurcuminN1-(3,5-dichlorophenyl)-3-amino-3-hydroxyiminopropanamideTrimethoprim(1R,9R)-5-Cyclohexyl-11-(propylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-oneChlorpromazineDipropylene glycol dimethyl etherDichlofluanidGliquidone5-HydroxythiabendazoleCoproporphyrin IGlycylglycylglycineApioleMidodrineAmifostineNP-018915N-Nitrosodi-n-butylamineDichlorvosFenuronNP-001257(+)-TetrandrinePPG Acrylate n5Spinosyn APindololCORALYNEKaempferol 3-O-arabinoside1-(4-benzhydrylpiperazino)-3-[4-(1,2,3-thiadiazol-4-yl)phenoxy]-2-propanolPPG Acrylate n6Clasto-Lactacystin beta-lactoneStreptozocinJamaicamide BMethyl (2R,4S,6S,12bR)-2-[(2-acetamidoethyl)amino]-4-(2-fluorophenyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amineNP-013210gamma-L-Glutamyl-D-alanine4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-4-prop-2-ynyl-4H-pyrazolePalmatineCeruleninFasciculic acid C14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dioneL-Glutamic gamma-semialdehyde2-Nitrobenzamide(-)-StercobilinAspartyl-Glutamate1-(2,6-difluorobenzyl)piperidine hydrochlorideArgininosuccinic acid(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-diolTrihexyphenidylSitagliptinResorcinolnaphthalein6-[[(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-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acidGlycylprolineNCGC00381332-01_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-Mitomycin ACortexoloneTriethylamine1-Stearoyl-2-Arachidonoyl PC-d8U-51605Dimethyl trisulfide3-hydroxy-6-[(4E)-3-hydroxy-2,4-dimethylhept-4-enamido]-2,4-dimethyl-5-oxohexanoic acid5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylbutanoateLopinavirnadifloxacinCMPSpectinomycin8-MethoxykynurenateNorfloxacin[3-({3-[(Cyclopropylmethyl)amino]-3-oxetanyl}methyl)-1,2-oxazol-5-yl]methanolAmmeline11-Dehydro-thromboxane B2Norlinolenic acid(R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl ethanethioate[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-2-methylbut-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]methyl (2E)-2-methylbut-2-enoate3',4'-Dimethyl-?-ethylaminovalerophenoneluteoxanthinNeocuproine3-MethoxyanthranilateHomo-anatoxinGinsenoside Rg3MetolachlorOctadecanamide8,11,14-Eicosatrienoic acidSodium taurocholatem-Cresol[(3R,4S)-3-[(7-Methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1-(propylcarbamoyl)-4-piperidinyl]acetic acid4-Methoxy-butyryl fentanylMyricetin 3-galactosideMethyl hexadecanoic acid5-MethoxydimethyltryptamineOxethazainedihydrozeatin-9-b-D-glucosideCyanidin 3-O-rutinoside 5-O-beta-D-glucosideOleyloxyethyl Phosphorylcholine2'-Deoxymugineic acid4'-(Imidazol-1-yl)acetophenoneCapsaicin4a,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 laurateNicotinamide ribotide24-Methylenecycloartanol4-OctylphenolMagnesium protoporphyrinTetraglyme34_6(16Z,19Z,22Z,25Z,28Z,31Z)EpisterolPhenacetinAminopterinNP-007866CB-13MLS001332578-01!Salmeterol xinafoate94749-08-3AL 8810 Methyl ester4-Acetamidobutanoic acidGinsenoside Rh3OxymetazolineL-Methionine S-oxideCytidine(+_-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenoneGeissolaevineL-Glutamic acid 5-phosphateLupanine3-Dehydro-2-deoxyecdysoneThalsimine5-Phospho-D-ribose 1-diphosphate pentasodium salt(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamidePhosphoserine12-Deoxyphorbol 13-palmitate; (1aR,1bS,4aR,7bR,8R,9aS)-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 palmitateKetorolacNorethindrone10-Hydroxydecanoic acidN1-phenethyl-3-(2-thienyl)acrylamidePhytolaccasaponin GR-Salbutamol6-Hexyltetrahydro-2H-pyran-2-oneStrychnineTrioxsalen2-HydroxyestroneDeoxycorticosterone 21-glucoside2'-Dehydrokanamycin A4-Amino-4-deoxychorismateAmitriptyline4-acetyl-4-(ethoxycarbonyl)heptanedioic acidDelta-TocopherolSalinomycin, SodiumNootkatoneCodeine(10aS)-10,10a-Dihydrophenazine-1-carboxylate_130100NP-0034918-Ethyl-12-methylbacteriochlorophyllide dPentylenetetrazole5-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-5,6,8a-trimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-2,3-diolN-(6-methoxypyridin-3-yl)thiophene-2-carboxamideNeoxanthin2,3-dihydrothieno-Thiadiazole CarboxylateNCGC00384943-01_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-carboxylateStrychnophyllineDigoxinChlorfenvinphosUrsinoic Acid4-Chloroaniline9(S)-HPODED-Ribose 5-phosphate3-Dehydroecdysoneethyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylateSparfloxacinNP-007425XylometazolineN-{4-[1-cyano-2-(4-pyridyl)vinyl]phenyl}ureagamma-Glutamyl-beta-aminopropiononitrileSinapineDapdiamide CT2 Triolbenzyl 4-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}tetrahydro-1(2H)-pyridinecarboxylateImazapicNalbuphinebiperiden hydrochlorideNCGC00160284-01!6-HYDROXYIMINO-IMPERIALINE5-Formiminotetrahydrofolic acidMinovincinineCortisol 21-acetate1-Stearoyl-2-Oleoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)]Antibiotic JI-20Aenniatin A1NP-021710PhenelzineLatanoprost ethyl amide(S)-Autumnaline6-ParadolTaraxerolQuinolin-2-ol5-AminopentanalSerotoninPrimidoneNCGC00381308-01_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 acid10-FormyltetrahydrofolateNCGC00384950-01!19-hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid1-{4-[2-(7-methoxy-2H-1,3-benzodioxol-5-yl)ethyl]phenoxy}-3-methylbutane-2,3-diol3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide5,6-Dihydro-5-fluorouracilYamogeninNeosolaniolN-AcetylserotoninHarmine11Z-Eicosenoic acidAnabasamineOleoylcarnitineFenpropimorphHarpagoside1-Oleoyl-2-acetyl-sn-glycerolFisetin[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate4,5,8-trihydroxy-5-(hydroxymethyl)-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-decahydronaphthalen-2-yl 3,4-dihydroxy-2-methylidenebutanoateLevamisoleHimbacine17a-Estradiol2-AcetamidofluorenePDMP15-Deoxy-d-12,14-PGJ2CGS 12066B2-PhenylethanolNCGC00016333-05_C14H13NO4_4,7,8-Trimethoxyfuro[2,3-b]quinoline2-[(5-isopropyl-3,8-dimethylazulen-1-yl)methylidene]hydrazine-1-carbothioamideBuforminPelletierineBetaxololNevirapineLevallorphanepsilon-(gamma-L-Glutamyl)-L-lysine5-Methylbarbiturate(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoatep-Cymene17-phenyl trinor Prostaglandin A2phenylethylamide 359LenacilButyryl fentanyl-d52-Hydroxybutyric acidOphthalmic acid(S)-N-MethylcoclaurineMLS002222329-01!26305-03-3NP-020414Cyclopropyl fentanyl-d5HomocitrullineEnoxacinN2'-Acetylgentamicin C1a(3Z)-3-[{1,6-Dimethyl-2-[(1E,3E)-1,3-pentadien-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}(hydroxy)methylene]-5-(1-hydroxyethyl)-2,4-pyrrolidinedioneN?-({1,3,4-trihydroxy-5-[(N-methylvalyl)amino]cyclohexyl}carbonyl)phenylalaninamideGamma-TocotrienolNicotinuric acidCortisone(+)-BebeerineN1-(1H-indol-4-yl)cyclohexane-1-carboxamideS-Methyl-L-methionineImidazol-5-yl-pyruvate(3S)-3,6-DiaminohexanoateZygadenineProtocatechuic acidEllagic acid7,8-Dihydropteroic acidAluminum dimerumic acid [M+Al-2H]ANTIMYCIN A (A1 shown)NP-019000Darunavir Ethanolate (Prezista)Allocholic acid(S)-3-Hydroxy-N-methylcoclaurineQueuine6-Aminopenicillanic acidCucurbitacin DCucurbitacin ECucurbitacin BCarbamazepineLeptomycin B1,7,8-Trihydroxy-3-methyl-2,3,4,7-tetrahydro-12(1H)-tetraphenoneL-Methionine1-(4-nitrophenyl)piperidineNP-019491TheophyllineThonizideNP-021797VomitoxinToyocamycinPleiomutineN-AcetylornithineSalidroside6-HydroxymelatoninNeocnidilideBis(2,2,6,6-tetramethyl-4-piperidyl)sebacateNCGC00385214-01_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-ylTridemorphN7-MethylguanosineMannitolPyroglutamic acidEcdysoneBis(methylbenzylidene)sorbitolPyridoxamineRilmenidine6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine)Aurachin BQuercetin-7-O-rhamnosideAndrosterone3-O-alpha-Mycarosylerythronolide BBenzoguanaminePalmitoyl Ethanolamide-d4DL-DopaGentamicin X2NP-007491Campestanol2-O-methyl PAF C-18NP-021781DihydromacarpinePalmitoyl Ethanolamide-d5LysoPE(14_1(9Z)_0_0)NCGC00381270-01!(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-oneKyotorphinDibutyl phthalateN2-Isobutyryl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosineUrsodeoxycholic acidTolperisoneGF 109203X7-MethylxanthosineBaclofen(24R,24(1)R)-Fucosterol epoxideEthylphenidateMLS001077329-01!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)-4-{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}butanoic acidIminoarginineFenthionStrychnohexamineDyclonineN-Alpha-acetyllysineAngeloylzygadeninFlunarizineNP-0137362-Aminobenzoic acid4-HydroxyphenylretinamideProstaglandin F2a11b-Hydroxyandrost-4-ene-3,17-dione2,22-Dideoxy-3-dehydroecdysoneMefloquine2-Chloroadenosine(-)-alpha-Curcumene3,4-DihydroxyphenylglycolN-Methyl-L-glutamic acid1,2-Dihexanoyl-sn-glycerol6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamideBellericagenin B; (2?,3?,5?,9?,18?,19?)-2,3,19,23,24-Pentahydroxyolean-12-en-28-oic acid13(Z)-Docosenoic AcidLupeolN1-Acetylspermine2-AcetamidoethylphosphonateChlorpheniramineProstaglandin A1-biotinManumycin AHQL-79S-AdenosylmethioninaminePhenylacetylglutaminePleiomutinine(E)-4-Octenoic acid15-deoxy-delta-12,14-PGJ2-d411-O-Demethyl-17-O-deacetylvindolineMLS001334042-01!WAY-100635 maleate saltLunarineKenpaulloneL-HistidinePE(19_1(9Z)_0_0)LuteinCitrullinePsymberinCastasteroneCarboprostItoprideNematophin3beta,5beta-KetotriolNeocembrene7-(2-aminophenyl)heptanoic acidKoninginin ARo 31-75494-(cyclohexylcarbonyl)-1-phenethylpiperazine-2,6-dioneMarindininN2-Succinyl-L-ornithineEstradiol3,4-Dihydroxymandelic acid(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylpropanoate10,11-DihydroxycarbamazepineIsobornyl propionateJasmoneNP-013538XanthoxyletinN1-[3-(trifluoromethyl)phenyl]-4-chlorobenzamide2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid15-Acetyl-4-deoxynivalenolascr#72-Aminobenzenesulfonate3,4-DihydroxymandelaldehydeCapsanthin16-phenoxy tetranor PGF2alpha methyl amide5-HydroxylysineN2-Succinyl-L-glutamic acid 5-semialdehydeMepivacaine7,8-DiaminononanoateAnandamide O phosphorylcholine from Mulder Biochemistry 2006 45 38 11267 11277enniatin AOleamideTEGASERODHydrocortisone aceponate4-Amino-5-hydroxymethyl-2-methylpyrimidineDioscinNor-9-carboxy-?9-THCHeliotrine14(S)-HDHALidocaineN-DemethylpromethazineGlycerol 3-phosphate4'-O-Methylnorbelladine5?-Androstan-3,6,17-trione(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-oneErucic acidNP-012268cholanic acidiodinated analogue of makaluvoneN-arachidonoyl dihydroxypropylamineIndoleacetaldehydeDeoxyuridine-5'-triphosphateImazaquinEchitamineMLS001076292-01!11BETA,17ALPHA,21-TRIHYDROXY-4-PREGNENE-3,20-DIONE 21-CAPRYLATE2-Biphenylolpetiolaroside(2-anilino-4-methyl-1,3-thiazol-5-yl)(1-benzothiophen-2-yl)methanoneTRIBOA-glucosideL-NIONP-001134Cycloaspeptide A_1202522-(14,15-Epoxyeicosatrienoyl) Glycerol6'-Oxo-G4183-hydroxy-hexadecanoic acidLY 294002LSM-4394Melphalan1,4_3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-2,5-dideoxy-5-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-L-iditolCyclopentolateNitrendipinePifithrin-&muNP-014891[6]-DehydrogingerdioneNCGC00384850-01_C25H33N5O7_2-({3-Phenyl-3-[(N-{2-[(1H-pyrrol-2-ylcarbonyl)amino]butanoyl}seryl)amino]propanoyl}amino)butanoic acid3-Dehydroshikimate2-[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 acidLSM-4387AvenasterolMLS000563157-01!Isopentenyl adenosineGoniomedine A5a-TetrahydrocortisolDaidzinStearidonic acid9b-hydroxy-6,6,9a-trimethyl-3-oxo-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-9-yl 2-acetamido-3-methylbutanoateNonyltrimethylammoniumNP-015331Thioguanine14-bromo-7,8-dehydrodiscorhabdin C (+2 isotope))2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-olN,N-dimethyl arachidonoyl amineN-Acetyl-O-demethylpuromycinNCGC00380799-01!5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acidtert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate1-HydroxymethylnaphthaleneMLS002153841-01!Iobenguane sulfate(-)-Jasmonic acid3-DehydrosphinganineTetrahydrocortisonePhenolphthaleinLividaminePyrethrosinStrychnopentamineDehydroepiandrosterone sulfate2-Isopropyl-3-oxosuccinate2-[(1-benzothiophen-3-ylmethyl)amino]-1-phenylethan-1-olMethoxyphenamineNCGC00179944-04_C42H70O14_(24Z)-26-(Hexopyranosyloxy)-1,21-dihydroxy-9,19-cyclolanost-24-en-3-yl hexopyranoside5-DehydroavenasterolNP-022095FlucytosineAICARlaccaic acid ATrehaloseProcainamideMeperidine2-({2-[(tert-butoxycarbonyl)amino]propanoyl}amino)-3-phenylpropanoic acid(S)-4-HydroxymandelateTropateBenzeneacetonitrile, Alpha-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-Alpha-(1-methylethyl)-, (R)- [CAS]Dehydrocostus lactoneEpinastineEriodictyolNP-00598224-Methylenecholesterol1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diolLupenoneProtoporphyrinogen IXIsoxabenMLS002637604-01!phenyl(piperidin-1-yl)methanone3-Bromo-N,N-dimethylanilineMyriocinGlycylleucineL-ArogenateValeryl fentanylBilobalide AAtrazineMLS001077357-01!6-ETHOXY-2-BENZOTHIAZOLESULFONAMIDENCGC00380796-01_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)-ProcarbazineQuinestrolZolmitriptanN,N-diisopropyl-3-nitrobenzamide7a-HydroxycholesterolTylactone2-Deoxystreptamine(+_-)-JWH 073 N-(3-hydroxybutyl)-d5Glycocholic acidTolytoxin16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester2,20-dihydroxy-13-methoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0?a,?a???.0???,?a???.0???,?a???.0???,?a??]tricosa-6(14),7,12-trien-11-oneHygromycin BCreatine ethyl esterGlutethimideNP-020713beta-Alanyl-L-arginineSqualeneMLS001141325-01!(2S)-2-[6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoylamino]-3-(4-hydroxyphenyl)propanoic acid5-Fluoro AMB metabolite 2TerbinafineAM1248AnandamideDolichothelineColchicine2',5,6-Trimethoxyflavone(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysineEcgonine methyl esterDihydrogeranylgeranyl diphosphate3beta,5beta-KetodiolAsiatic acid2,4-Dihydroxy-6-(hydroxymethyl)-3-[(6-hydroxy-1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)methyl]benzaldehydeSodium deoxycholateCyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucosideHonokiol2-Amino-2-deoxy-D-gluconate1-(4-pentylphenyl)ethylamine hydrochloride(S)-Abscisic acid(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide3-KetosphingosineButyl palmitate(2S,3S,4S,8R,9S,13R,14R,15R,16R)-3,4,8,14,15-pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.0??,???.0?a??,?a???]hexadecan-11-one5-Fluoro THJ(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2R,4S,5R,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0??,???.0?a?a,?a???]heptadec-9-en-14-yl]butyl]-3,5-dimethyloxolan-2-one4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline4,6-dihydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-benzofuranone(S)-8-(2-hydroxy-2,2-diphenylacetoxy)-1-methyl-1-azoniabicyclo[2.2.2]octaneMEX_278.1387_17.32-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic acidPiperocainePyrimidodiazepineEpothilone BSorbitolbeta-Alanyl-L-lysineValpromideN'5-(2-chlorobenzylidene)-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbohydrazide3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-oneO-PhosphoethanolamineNaltrexoneGeranylacetoneLithocholic acid17-trifluoromethylphenyl trinor PGF2alpha methyl esterLoratadine(R)-2-O-SulfolactateProcymidoneAlpha-dimorphecolic acidZiprasidone hydrochlorideMyristoleic acid(10S)-Juvenile hormone III diol16-Methoxytabersonine20a,22b-DihydroxycholesterolPrednisoneRetinoyl b-glucuronideLeukotriene E4Monoethylglycinexylidide5-{[amino(imino)methyl]amino}-2-[(tert-butoxycarbonyl)amino]pentanoic acid hydrochloride hydrateNialamideConessineUndecanoic acidNCGC00386093-01_C34H43N3O6_TetrahydropalmatineAltrenogestDoxylamineMONENSIN SODIUM (monensin A is shown)QUININE ETHYL CARBONATE2-DeoxyecdysoneD-Phenyllactic acidL-TryptophanMethoxamineCyclizineApNAEbastinNP-007763OxoamideMagnoflorine4-Guanidinobutanoic acidCholesterolBALSALAZIDESomocystinamide A byproductGitogeninMLS002207159-01!3,5-Dinitrobenzamide121-81-3ParthenolideDomoic acidSarafloxacinNP-022500QuinaprilTryptaminemeso-2,6-DiaminoheptanedioateNP-017152(2R,3R,4S,5S,6R)-2-{[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol9-cis-Retinal16-Hydroxy hexadecanoic acidN'2-imino(2-pyridyl)methylfuran-2-carbohydrazideMLS001142929-01!tert-butyl (2S)-2-[4-[[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate16-Heptadecyne-1,2,4-triolRetapamulincis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberineSteviobiosideDipyridamoleDocosahexaenoyl SerotoninSimazineN-Acetyl-beta-glucosaminylamine2-thio-PAF7-OxodeoxycholateCarvedilolParaxanthine6'-Dehydro-6'-oxoparomamineGentamicin A2EnterolactoneLomefloxacinGermerinRescinnamineIndole-3-acetate1,1-DimethylbiguanideNicotinic acid mononucleotideOctyl decyl phthalateQuinolinic acid4-(4-hydroxy-2,6,6-trimethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)butan-2-one(E)-Monocrotophos5-Methylcytosine hydrochloride2-(2-thienyl)-4H-chromen-4-one2-HydroxyphenethylamineAllocystathionineMLS001148643-01!17ALPHA-HYDROXYPROGESTERONE CAPROATE630-56-84-{3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbutyl}benzene-1,2-diol1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol2-PentylfuranGlycyl-glycineN-(tert-butyl)-N'-phenethylureaChitobioseMLS002153254-01!4-Chloro-DL-phenylalanine methyl ester hydrochloride14173-40-14a-Carbinolamine tetrahydrobiopterinPhosphonoacetatePoly THF n5CefadroxilPhylloquinolSpongiacidin ASantonine Oxime2-Amino-3-phosphonopropionic acidMitomycinNervonic acidTrinexapac-ethylMLS001157801-01!tert-butyl (2S)-2-[4-[[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylatePergolideDihydrojasmoneCiliatineNicotinamide hypoxanthine dinucleotide sodium salt(R)C(S)S-AlliinRoseotoxin AGlycerophosphocholineN-Glycolylneuraminic acidErgothioneineADBICA1-Aminocyclopropanecarboxylic acid2-(4-nitrophenoxy)ethyl 5-bromo-2-furoate2,3-Dinor-8-iso prostaglandin F1alpha1-benzylpiperazineTrilostane16-phenoxy tetranor PGF2alpha isopropyl esterPropazine4-{[3,5-Bis(sec-Butyl)-4-oxocyclohexa-2,5-dienyliden]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-oneCybutryneNP-011878indoline(1E)-3-hydroxy-3-[(4Z)-3-hydroxy-5-oxo-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)oxolan-2-yl]-2-methylprop-1-en-1-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoatePenicisideN-AcetylhistidineAfzelechin2-Keto-6-aminocaproate(S)-ReticulineN-AcetylputrescineO-AcetylcarnitineTryptophan4S,5S-antillatoxin AMannitol 1-phosphateXanthineN-{2-[4-(2-Methoxyphenyl)piperazino]-1-methylethyl}-N-pyridin-2-ylcyclohexanecarboxamideL-GlutaminePEG n10(2E,2'E)-N,N'-1,4-Butanediylbis[3-(4-hydroxyphenyl)acrylamide]MethaqualoneDeferrioxamine EN-Acetylmuramate5-HydroxymethyluracilDocosapentaenoic acid methyl esterAldosteroneNCGC00347633-02!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-hexoneATHPINACA isomer 213-(acetyloxy)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0??,???.0?a?a,?a?l]pentadeca-3,8-dien-14-yl (2E)-2-methylbut-2-enoateMercaptopurineDibromophakellin - CASMI2016 Category 1 - Challenge 1Dulcin4-(1-piperazinyl)-1H-Indole (hydrochloride)Indoxyl sulfate10-HydroxycarbazepinePhosphorylcholineIle-Gly-OHChlormadinone acetateMLS002153446-01!Taurocholic acid sodium salt hydrateErgoloid_Mesylate13-hydroxy-2,6,6,10,11-pentamethyl-14-(4,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0??,???.0?a?a,?a???]heptadec-14-en-5-oneProcaineD-Arabitol4-Oxatetradecanoic acidNCGC00380472-01!4,7,8-trimethoxy-3,5-dimethylchromen-2-oneSarsasapogeninSedoheptuloseNP-021245Tropatepine2'-Deamino-2'-hydroxy-6'-dehydroparomamineNP-0038002-DeoxycastasteroneIsolithocholic acidThromboxane B2Rakicidin DN2-Succinyl-L-arginineCitalopramNP-012767NP-012768Altamisic acid; 3-[(3aS,8R,8aR)-8-Hydroxy-6,8-dimethyl-3-methylene-2-oxo-3,3a,4,5,8,8a-hexahydro-2H-cyclohepta[b]furan-7-yl]propanoic acidZolpidem-d6Perillic acidN-Acetyl-b-glucosaminylamineIsocytosineUridine 5'-diphosphoglucose disodium salt hydrate fromSaccharomyces cerevisiaeETHAVERINE5-Hydroxy-L-tryptophanSinapateCP 80633Cochlioquinone ADeoxyriboseethyl 2-{[(hexylamino)carbonyl]amino}-3-phenylpropanoateRiboflavin3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-octahydro-1H-indene-4-carboxylic acidArabidiolCephalosporin CPIPEMIDIC ACID5?amino?3,3?dimethyl?6?[(1E)?2?(4?methylphenyl)diazen?1?yl]cyclohexa?1,5?dien?1?olNicotinate D-ribonucleosideURB754BesonprodilO-Succinyl-L-homoserineTropinoneHydrochlorothiazideL-HomophenylalanineDibucaine (Cinchocaine) HClAnileridineBoldenone_UndecylenateGuvacolineTroxipide(S)-2,3-EpoxysqualeneN1-Acetylspermidine3-Hydroxyanthranilic acidAlpha-Linolenoyl ethanolamideL-SorboseNP-000124Abu-Val-OHNP-0210475-Hydroxyindoleacetic acid1-(2-methoxy-4-nitrophenyl)pyrrolidineN-(3-Indolylacetyl)-L-isoleucineBenzyl sildenafilTriisopropanolamine cyclic boratePentyloneNP-0169282-MethoxyestroneIrgafos 168makaluvamine CSclareol2'-O-Methyladenosine(R)-PantolactoneMLS001142764-01!tert-butyl N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-[[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamoyl]piperidin-1-yl]butan-2-yl]carbamateGalaxolidonePropafenoneTilidineSPI_256.2273_14.6N-Acetylglutamic acid(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolCathasteroneFenpropidinNCGC00385362-01_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 acidPenbutololDihydrocapsaicinS-Hexyl-glutathioneCyanazineMepyramineThiacloprid(R)-LaudanidineVitamin D3AminocarbMoxifloxacin7-MercaptoheptanoylthreonineFLUMEQUINESULOCTIDIL17alpha-HydroxyprogesteronePalonosetron HCl2,4-DiaminoanisoleNP-002336MethylisoeugenolBiliverdinN,N-HEXAMETHYLENEAMILORIDEN,N-DimethylsphingosineT2 Toxin6'-OxolividamineHecogeninNP-014796Anhydrocochlioquinone AN-Desmethyl-loperamideethyl 3,3,3-trifluoro-2-[(3-pyridylcarbonyl)amino]-2-[2-(trifluoromethyl)anilino]propanoate6-Tuliposide BSulfamethazineCytochalasin HAvermectin B1b aglycone9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acidNP-003672Sulfaphenazole3-bromo-2,6-dimethoxybenzoic acidNilotinib(R)-10-HydroxystearateN-methyl Leukotriene C44-[(dimethylamino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-oneBenzoyl phosphate?-Cortolone3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate6-Keto-prostaglandin F1a3-IndoleacetonitrileEmetineDiethanolamineButyl 9,12-octadecadienoateKitasamycinThiaminePropoxurJWH011Sodium mercaptopyruvate dihydrate7-alpha-carboxy-17-alpha-carboxyethylandrostan lactone phenyl ester13,14-dihydro-15-keto-tetranor PGE2N1-isopropyl-2-(1H-2-pyrrolylcarbonyl)-1-hydrazinecarboxamide12-Aminododecanoic acidSaxitoxinL-DopaNP-002322Aflatoxin B1BaicaleinS-Carboxymethyl-L-cysteine10-deoxygerfelinCoelichelinErgocristamPropentofyllineSucrose8,9-EETHC-toxinAntibiotic G-418Metoclopramideent-8alpha-Hydroxylabd-13-en-15-yl diphosphate25-Hydroxy-24-epi-brassinolide(24R)-24-Methylcycloarta-25-en-3-beta-olSpermidineDisulfiramLSM-5745NP-0045522-Hexaprenyl-6-methoxy-1,4-benzoquinoneNCGC00347652-02_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)-hexoneTaurocholic acidRaclopride4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanoneU69593MLS002172436-01!4-oxo-1H-quinoline-2-carboxylic acidRauwolscinePyrovaleroneN1-(3,3,5-trimethylcyclohexyl)-5-chloro-2-(methylamino)benzamideValeryl fentanyl-d54-HydroxyestradiolIsobornyl methacrylateTestosterone isocaproateTetrahydrofuran fentanyl-d54-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acidPerindopril2',2'-difluoro-2'-deoxyuridine[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl](5-methyl-3-phenyl-4-isoxazolyl)methanoneIndolebutyric acidN(6)-MethyllysineMetanephrineCyclohexyl fentanyl-d5NP-0178555-MethylcytidineTestosterone benzoateAlpha-TocotrienolAstemizole5'-Methylthioadenosine(2S)-8-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneRitalinic acidQuetiapineCreatininePyridoxine6-Phosphogluconic acid5-Hydroxypentanoic acidBenzyl carfentanilA-836339N-AcetylleucineThiabendazoleAstaxanthinbutalbitalCortisolBilirubinNP-009800Norethindrone acetate2-(methylsulfanyl)-4-quinazolinamineHECOGENIN ACETATEMesaconitine4-Phenylbutyratebeta-Cryptoxanthinhomo-Tienilic AlcoholMycophenolateleupeptin hemisulfateLithium potassium acetyl phosphateMesobilirubinogenL-LysinePyridostigmineZymosterol intermediate 2(S)-2-MethylmalateVecuronium1-Dehydro-[6]-gingerdioneNCGC00380806-01!6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acidTri-allate3-(4-Hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propen-1-oneDimethylbenzimidazoleRCS-41-MethylhistidineDodecanoic acidEugenolCetyltrimethylammonium bromide7-{[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]methoxy}-2H-chromen-2-oneSphinganineflubendazole2,7-dihydroxyapogeissoschizineMalyngamide C acetatePerakineAgelasine (Stereochemistry Of Diterpene Unknown)MetoprololTraumatic AcidGlycochenodeoxycholic acidOleoylethanolamideVitamin E Acetate4,5-Dihydroorotic acid19(R)-HETEHydroxyzinecyclohexyl[4-(2-methoxyphenyl)piperidino]methanoneOxybutyninProgesterone17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1&alpha(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester(R)-HigenamineGenistinXanthohumolNP-020647DL-Dipalmitoylphosphatidylcholine2-C-Methyl-D-erythritol 2,4-cyclodiphosphateOleoyl Serotonin4'-OxonebramineSuprofen3-[(3-OH-myristoyl)oxy]decanoyl glutamineMLS001142640-01!methyl 1-[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]piperidine-4-carboxylateKynurenic acidNCGC00380936-01_C13H19NO5_1,3-Dioxolo[4,5-c]pyridin-4(5H)-one, 2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-PalmitoylethanolamideAnabasineEsmololBarbituric acidPentamidineN(omega)-Nitro-L-arginine methyl esterPorphobilinogenMLS001074182-01!N,N'-DIACETYL-1,6-DIAMINOHEXANETyrosolNP-018314Uridine-5'-diphosphate disodium saltPurines I-IV gallate[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl](5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanoneMLS001148415-01!7-Methyl-3-methylene-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one(2R,3R,4S,5S,6R)-2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolLinezolid2-[(1,3-thiazol-2-ylamino)methylidene]malononitrileL-HistidinolGabapentinCelastrolNevskinCarnosineNeoplatyphyllineSpironolactone3'-(1''-(3-Methylbutanoyl))-angeloyl vaginidiolIlimaquinoneBenzodioxole fentanylFukugetinTetracaineNiacinamideTentoxinDiaminopimelic acidDeoxyuridineDihydrozeatin(S)-Coclaurinetrans-4-Phenyl-4-piperidinocyclohexanolOPEOZeranolPentaporphyrin IN-palmitoyl taurineDimefuronMLS001333570-01!55297-96-6N-Acetylmannosamine8-HydroxyquinolineMLS001160370-01!1-[2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]piperidine-4-carboxamide1-(2-Trifluoromethylphenyl)piperazineAtratoncis-9,10-Epoxystearic acidHU-210alpha-ZearalenolFormoterol?-PropylaminopentiophenonePropranololPPG Acrylate n105-(Difluoromethoxy)-2-mercapto-1H-benzimidazole12-HydroxydihydrochelirubineErgocalciferolLenticinDrofenine5-(Methylthio)-2,3-dioxopentyl phosphate(3S,5S)-Carbapenam-3-carboxylic acidQuercetin 4'-glucosideHydroxychloroquineSpermineMLS001049060-01!N-[2-(1H-indol-3-yl)ethyl]hexadecanamide17-O-AcetylnorajmalineC8-DihydroceramideL-ArginineFusarenone XLithocholenic AcidMoroxydineNCGC00380289-01_C32H50O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirost-5-en-1-yl7,8-DihydroyangoninHeme B4-Hydroxy-2-quinolone2-ArachidonoylglycerolButylateCitreoviridinMMV676602MethocarbamolStearidonoyl glycineN-Succinyl-L,L-2,6-diaminopimelate6,7-DICHLORO-3-HYDROXY-2-QUINOXALINECARBOXYLIC ACID3-[4-(tert-butyl)phenyl]-2-methyl-2,3,3a,4,5,6-hexahydrobenzo[6,7]cyclohepta[c]pyrazoleGibberellin A36NCGC00381175-01!3-hydroxy-2-[[3-[3-(3-hydroxy-6-methylheptanoyl)oxy-6-methylheptanoyl]oxy-8-methylnonanoyl]amino]propanoic acid4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl ?-D-glucopyranosideInosineL-SerineLumichrome2-PyrrolidinoneMLS000876956-01!8-iso Prostaglandin A2-biotinPEG n72'-Deamino-2'-hydroxyparomaminePEG n8D-Alanyl-D-serineMLS002154171-01!Benzonatate104-31-44,4'-Methylene bis(2-methylaniline)D-CathinoneDammarenediol IID-GlucoheptoseSubaphyllineIsouron3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 2-(prop-1-en-2-yl)-2,3-dihydrobenzofuran-5-carboxylateNP-020240D-4-Hydroxy-2-oxoglutarateMono-benzyl phthalateMLS001141331-01!(2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid3-EpiecdysoneDescladinoseAzithromycinVanillylmandelic acid4'-OxolividamineDihydrouracilEthyl palmitoleateNP-012616beta-SitosterolN-Acetylhistamine24,25-Dihydrolanosterol1,7-Bis(4-hydroxyphenyl)hept-1-en-3-one; MFCD19441072LEVULINIC ACID, 3-BENZYLIDENYL-Dicamba13(S)-HpOTrEN-oleoyl taurineNCGC00381238-01_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-mannopyranosideEthynodiol Diacetate(2R,3E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl 3-methylbutanoatebeta-Bixin5-(2-Hydroxyethyl)-4-methylthiazoleAspartylglycosaminePrephenateMLS001074061-01!DIRITHROMYCIN4-Hydroxycinnamoylagmatine?-PiperidinobutiophenoneCitroflex A-42-(hydroxymethyl)-6-{5-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triolProtriptylineGingerolAcetylcholine3-Iodopropynyl butylcarbamate3-Methyl-5-(5-methylisoxazol-3-yl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)isoxazoleNP-002854ImidiocarbIsochavicolMLS000736497-01!10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one4-carbamoyl-3-{2-[(1E)-3,5-dimethyl-2-oxocyclohexylidene]ethyl}butanoic acidOrotic acid26-Hydroxyecdysone1-deoxymethylsphinganineTryptophanol5-IAID-OctopineCysteine-S-sulfateOxolinic acidBenzaldehydeFenoterol5?[(1E)?2?[4?(dimethylamino)phenyl]diazen?1?yl]pyrimidine?2,4,6?triamineBufalinCarboxinHistamineEthyl oleateN(6)-[(Indol-3-yl)acetyl]-L-lysine5'-Deoxyadenosine2'-({[2-(2-Oxo-1-imidazolidinyl)ethyl]amino}carbonyl)[1,1'-biphenyl]-2-carboxylic aciddihydroergocristineN-Acetyl-L-2-amino-6-oxopimelateCarbosulfan3-(1-benzylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine(9R,10R)-10-(acetyloxy)-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 2-methylbutanoateSenecionine4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone3-hydroxy-2-[3-methyl-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-2-en-1-yl]propanoic acid2,3-ButanediolMedroxyprogesteroneL-4-Hydroxyphenylglycyl-L-arginine(E)-methyl 11-(5-carbamoyl-4-oxo-1,4-dihydropyridin-2-yl)undec-10-enoate_120104DecanamideImidazolepropionic acid1-Arachidonoyl Glycerol-d5NCGC00384745-01_C27H34O14_3-Phenyl-1-{2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-1-propanoneATP disodium saltNicotine-1,1'-di-N-oxideAcebutolol3-(alpha-L-Arabinofuranosyloxy)pimara-8(14),15-dien-12-yl 6-deoxy-beta-D-galactopyranosideCelecoxib2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-oneAnisomycinDeoxycytidineN'-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N,N-dimethyliminoformamide12-Keto-tetrahydro-leukotriene B4BiopterinAcrylfentanylfalseBifidobacterium animalis subsp. lactis V9 Overcomes CYFRA 21-1-Linked Immunochemotherapy Resistance in NSCLC via Microbial MetabolitesElevated serum cytokeratin 19 fragment (CYFRA 21-1) marks aggressive diseaseand poor response to immunochemotherapy in advanced non-small cell lung cancer(NSCLC), but its link to gut microbiome dysfunction remains unclear. We show thathigh CYFRA 21-1 levels correlate with depletion of Bifidobacterium animalis andantitumor metabolites. Gut microbial metabolites from these patients suppressimmunochemotherapy efficacy in mice through dysregulated tryptophan andphenylalanine metabolism. Adjuvant Bifidobacterium animalis subsp. lactis V9 (B.lactis V9) restores gut microbial balance and increased quinaldic acid and catechol,which enhance antitumor immunity and induce tumor cell death via caspase-dependentapoptosis and ferroptosis. This benefit transfers via fecal supernatant, independent ofbacterial colonization. In a randomized, double-blind, placebo-controlled trial (n = 30),adjunctive B. lactis V9 improves objective response rate (47% vs. 33%), disease controlrate (87% vs. 67%), and prolongs progression-free survival in responders, establishinga metabolite-mediated strategy to overcome treatment resistance in high-CYFRA 21-1NSCLC.2026-07-212025-11-08MTBLS13296