which was developed using R and based on XCMS, for feature detection, extraction, alignment, and integration.
The R package and the BiotreeDB(V3.0) were applied in metabolite identification.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - hilic","Liquid Chromatography MS - negative - hilic"],"chromatography_protocol":["For polar metabolites, LC-MS/MS analyses were performed using an
UHPLC system (Vanquish, Thermo Fisher Scientific) with a Waters ACQUITY
UPLC BEH Amide (2.1 mm × 50 mm, 1.7 μm) coupled to Orbitrap Exploris
120 mass spectrometer (Orbitrap MS, Thermo). The mobile phase consisted of (A) water containing 25 mmol/L ammonium acetate and 25 mmol/L ammonium hydroxide (pH 9.75) and (B) acetonitrile. The auto-sampler temperature was 4 ℃, and
the injection volume was 2 μL.
"],"publication":["13(S)-HODE Generated by Rhizopus microsporus var. rhizopodiformis Aggravates MASLD via the Elane-PAR2-SREBP-1c Axis."],"submitter_name":["Daya Zhang"],"submitter_affiliation":["Hainan medical university"],"organism_part":["feces"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Then the mixed samples were homogenized (35 Hz,4 min) and sonicated
for 5 min in 4 ℃ water bath, the step repeat for three times.
The samples were incubated for 1 h at -40 ℃ to precipitate proteins.
Then the samples ware centrifuged at 12000 rpm (RCF=13800(×g),R= 8.6cm)
for 15 min at 4 ℃. The supernatant was transferred to a fresh glass vial for
analysis. The quality control (QC) sample was prepared by mixing an equal
aliquot of the supernatant of samples.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15516"],"author":["Daya Zhang. Hainan medical university. 875025464@qq.com."],"data_transformation_protocol":["The raw data were converted to the mzXML format using ProteoWizard
and processed with an in-house program.
"],"study_factor":["Group"],"submitter_email":["875025464@qq.com"],"sample_collection_protocol":["The samples (25 mg±1 mg) were taken, mixed with beads
and 500 μL of extraction solution (MeOH:ACN:H2O, 2:2:1 (v/v)). The
extraction solution contain deuterated internal standards. The mixed
solution were vortexed for 30 s.
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","pooled quality control sample","Metabolomics","ProteoWizard msconvert","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","Rhizopus microsporus","Homo sapiens","13(S)-HODE","feces","experimental sample","untargeted metabolite profiling"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","pooled quality control sample","Metabolomics","ProteoWizard msconvert","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","Rhizopus microsporus","Homo sapiens","feces","13(S)-HODE","experimental sample","untargeted metabolite profiling"],"mass_spectrometry_protocol":["The Orbitrap Exploris 120 mass spectrometer
was used for its ability to acquire MS/MS spectra on information-dependent
acquisition (IDA) mode in the control of the acquisition software (Xcalibur,
Thermo). In this mode, the acquisition software continuously evaluates the
full scan MS spectrum. The ESI source conditions were set as following:sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb, capillary
temperature 320 ℃, full MS resolution as 60000, MS/MS resolution as 15000,
collision energy: SNCE 20/30/40, spray voltage as 3.8 kV (positive) or -3.4 kV
(negative), respectively.
"],"metabolite_name":["Piperazine-2-carboxamide","4-Methylmorpholine","2'-O-methylcytidine","3-Hydroxyestran-17-one","Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-","31,4-dihydroxy-isoleucine","4-Methoxy-alpha-phpp","2-Methylnicotinamide","3-Methyl-2-pyrazolin-5-one","2-Methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one","1-(5-Fluoropentyl)-N-2-naphthalenyl-1H-indole-3-carboxamide","Ectoine","Cycloate","Lumirubin","3-oxo-N-(2-oxooxolan-3-yl)decanamide","Oxeladin","N-pentyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine","Suberenone","Andrographiside","Angeloylsenkyunolide F","LysoPC(0:0/18:2(9Z,12Z))","Moricizine","N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","Corypalline","5-Amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","Glycyl-Histidine","[1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-","3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid","Pentyl nitrite","Amphetamine","S-(2-Methylpropionyl)-dihydrolipoamide-E","3,4-Diphenylmethylidene Luteolin","Lupinine","rel-5-[1-[(1aR,4R,4aR,7R,7aR,7bS)-Decahydro-4-hydroxy-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde","Perimidine","2,4,6-Trimethoxypyrimidine","Tyr-Ile","(2beta,3beta,5beta,22R)-3-(beta-D-Glucopyranosyloxy)-2,14,20,22-tetrahydroxycholest-7-en-6-one","Asn-Ile","5-Hydroxy-2,3,3a,4,5,7a-hexahydro-1H-isoindole-1,3-dione","2,2-Dimethyl-n-[3-(trifluoromethyl)phenyl]propanamide","1-Cyclohexyl-3-(4-ethoxyphenyl)-2-thiourea","Hordenine","Dipicolinic Acid","2-[(5-Methyl-3-oxohexyl)amino]propanoic acid","Chlormadinone Acetate","8-methylquinolin-2(1H)-one","4-Pyridinecarboxaldehyde","(+)-alpha-(2,3-Dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-4-piperidinemethanol","Silodosin","7-Dehydrodesmosterol","Suberylcarnitine (C8:0,COOH)","Racemoramide","2,4,12-Octadecatrienoic acid isobutylamide","Histidyllysine","2-amino-4-(3-hydroxyphenyl)-7-nitro-4H-chromene-3-carbonitrile","Acylcarnitine C15:2","LacCer(d18:1/16:0)","(E,3S,5R)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid","Fellutamide B","[(6E,10Z)-6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate","3-Hydroxy-17-(7-hydroxy-6-methyl-3-oxoheptan-2-yl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one","Gamma-Carboline","Isopongaflavone","4'-Nitrodecananilide","Ursocholic acid","Sorbicillin","D-Aspartic Acid","(2S,2'S)-Pyrosaccharopine","Chenodeoxycholyltryptophan","Cyclo(Pro-Ala)","D-Urobilin","5,5',6,6'-Tetrahydro-b,b-carotene-3,3',5,5',6,6'-hexol","Phenylephrine","Lacto-N-neo-tetraose, synthetic","2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole","2-Chloro-4-diethylamino-6-methylamino-s-triazine","2,4,5-Trimethyloxazole","1H-Indole-6-carboxaldehyde","Gentamicin A","Prolylalanine","14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione","4'-Chloro fentanyl","Acetic acid, 2-(prop-2-ynylamino)-","Glaucine","Alprazolam","5-Butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine","4-((6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl)-2-((6-Methoxy-1-((4-Methoxyphenyl)Methyl)-2-Methyl-3,4-Dihydro-1H-Isoquinolin-7-Yl)Oxy)Phenol","Dihydroferuloylglycine","3-Methyladenine","Heptadecanoylcarnitine (C17:0)","N-acetyl-S-farnesyl-l-cys-teine","N-Decanoyl-DL-homoserine lactone","gamma-Glu-Ile","Indole","C.I. Disperse Blue 3","Arg-Pro","Dehydroabietic Acid","(-)-Mitragynine","2-(6-methyl-7-oxooctyl)-2H-furan-5-one","2-Butenyl-4-methyl-threonine","5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)furan-2-carboxamide","Lactamide","alpha-Ionol O-[arabinosyl-(1->6)-glucoside]","N-(piperidin-3-yl)propanamide","Decenoylcarnitine (C10:1)","N-vinylimidazole","4-(1,3-Dithiolan-2-yl)aniline","Macrocarpal N","13-Hydroxy-6-(1-hydroxyethyl)-12,14-dimethyl-3-methylidene-15-nonyl-9-propan-2-yl-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone","5-Ethylsulphonyl-o-anisidine","2-[[3-(4-Fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid","LPG(16:0)","8'-Apocapsorbinal","2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl] ethanol","Adenosine","N-(4-butylphenyl)-4-methylbenzamide","Isogravacridonechlorine","6-Methyladenine","1,7-Dioxa-4,10-diazacyclododecane","(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol","1-(4-Methoxybenzyl)-3-acetoxynorcotinine","3,5-Dimethyl-4-propyl-1H-pyrazole","2-(benzylamino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one","PC(18:0/18:1(9Z))","Ile-gly","Galdosol","5-Methylcytosine","4-Methylnicotinic acid","Fenpropathrin","[1,1'-Biphenyl]-3,3',4,4'-tetracarboxylic Acid","o-PHENYLENEDIAMINE","Diphenidine","2-chloro-N-dodecylacetamide","N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide","Ethyl 7-epi-12-hydroxyjasmonate glucoside","5-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one","Arginylphenylalanine","gamma-Glutamylleucine","Threonine","N-(2,3,4-Trihydroxybutyl)-valine","3-Methoxy-4-(oxazol-5-yl)aniline","7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one","8-Hydroxycarvedilol","Psychosine","Lysine","6-[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol","1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(Galactosyl-alpha-1-6-Galactosyl-beta-1)-glycerol","L-Prolinamide","5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester","1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione","4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid","9-Ethylguanine","His-Val-OH","8-Methyl-8-azabicyclo[3.2.1]octan-3-ol","4-methyl-N-(2-propyltetrazol-5-yl)benzamide","2-(Carbamoylamino)-2-phenylacetic acid","beta-PICOLINE","Simulansamide","Cholesterol 1-linoleoate","Alanyl-gamma-glutamyl-lysine","n-methacryloyl-l-histidine methyl ester","3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile","Octadecylamine","Lysyl-aspartyl-glutamyl-leucine","1-Methylnicotinamide","4-Amino-3,5-dimethylphenol","(¡À)-Stylopine","8-ethoxy-2-(4-fluorophenyl)-3-nitro-2H-chromene","2-(Pyridin-4-yl)malonaldehyde","Anhydrolutein I","Pergolide sulfone","N,N-Dimethylacetamide","N-acetyl-beta-glucosamine-1,6-anhydro-N-acetyl-beta-muramate","Tricoumaroyl spermidine","17-(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","GlcCer(d18:1/16:0)","2-Aminoheptanedioic acid","p-Aminophenol","XLR11 6-hydroxyindole metabolite","3-(Prop-2-en-1-ylamino)propanenitrile","gamma-Oxo-3-pyridinebutanal","N2-Succinyl-arginine","1-Methyladenine","O-Propanoylcarnitine","Glycylserylprolylmethionylphenylalanylvalinamide","Amino 6-oxohexanoate","4-Chloro-6-ethyl-2-(piperidin-1-yl)pyrimidine","Iromycin A","(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methylnaphthalen-1-ylmethanone","Pentadecanoylcarnitine (C15:0)","Methyl Oleate","Phe-Val","Pipecolic acid","[(3Z,9E)-16-benzyl-5,12-dihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate","dITP","2-Amino-3-methoxybenzoic acid","Leucylhydroxyproline","1-Octen-3-yl primeveroside","Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine","3-(2-Phenyl-1H-indol-1-yl)propanoic acid","Hebevinoside V","3-[[2-(3-Hexylanilino)-2-oxoethyl]amino]propanoic acid","Carbobenzyloxyglycylglycyl-L-proline benzyl ester","(3xi,6E)-1,7-Diphenyl-6-hepten-3-ol","Carnitine","1-(3-Chlorophenyl)-3-(4-sulfamoylphenyl)urea","11-Methoxy-12-oleanen-3-ol","Methyl 2-aminohexanoate","PC(38:6)","2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide","14-(5-Ethyl-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-9-one","(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one","(22E,24R)-Stigmasta-4,22-diene-3,6-dione","1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione","US9233167, Codeine","N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-1,4-dioxane-2-carboxamide","8-Hydroxy-15-(hydroxymethyl)-2,7,7,11-tetramethyl-5,12,14-trioxapentacyclo[9.8.0.02,8.04,6.013,18]nonadec-13(18)-ene-3,17-dione","3-(1-(cyclohexylmethyl)-1H-indazole-3-carboxamido)-2,2-dimethylsuccinicacid","3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid","methyl (2S)-3-methyl-2-[(1-pentylindole-3-carbonyl)amino]butanoate","Tribenzylamine N-oxide","N6,N6,N6-Trimethyllysine","4-(7-Hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid","Austocystinc","Fluoxymesterone","(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol","2,6-dichloro-N-(3-methoxypropyl)benzamide","Propylbenzene","N,N-Didesmethylmifepristone","Physostigmine","Methylmalonylcarnitine (C4:0,COOH)","1-Methyladenosine","4-Hydroxybenzoic acid hydrazide","(3R)-6',7,7',8-Tetradehydro-6',8'-dihydro-3-hydroxy-3',8'-dioxo-beta,epsilon-carotene","5,6-dihydro-4H-1,3-oxazin-2-amine","Ethyl 3-piperidin-4-ylpropanoate","Cyclohexanecarboxamide","Methyl arachidonate","4-Aminotetrahydropyran","(3E)-4-hydroxy-3-[hydroxy-[2-[(1E,3E)-6-hydroxyhepta-1,3-dienyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methylidene]-5-(hydroxymethyl)-1-methylpyrrol-2-one","(Z)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide","1-Tetracosanoyl-sn-glycero-3-phosphocholine","Pyropheophorbide-a","PC(38:4)","PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))","2-(Piperidin-1-yl)pyrimidine","2-Amino-5-butyl-4-(furan-2-yl)-6-pentylpyridine-3-carbonitrile","proline dl-form","6beta-Naltrexol","[(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","Narwedine","Acylcarnitine C16:4,OH","Phenol, 3-methoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-","Henicosa-5,14,17-trienoylcarnitine","2-Hexaprenyl-6-methoxyphenol","Mono-N-dealkyldisopyramide","Acylcarnitine C9:0,OH","2,4-Dimethylimidazole","2-(4-Methylphenyl)-1-(1-pentylindol-3-YL)ethanone","Trigonelline","N-acetylmuramoyl-ala-glu-meso-diaminopimelate -ala","Erythromycin A enol ether","2-(Dicyclohexylphosphino)biphenyl","Pyrraline","Benzhydrazide","Mebeverine","Veratraldehyde azine","Leu-leu-tyr","Hexahydro-1,4-diazepine","N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indole-3-carboxamide","N-(Prop-2-en-1-yl)-7H-purin-6-amine","2-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrile","Piericidin C1","Methylpyrrolidone","2,5-Dimethylpyrazine","13-Ethenyl-5,7,9,11,13-pentamethyl-2-oxa-18-azahexacyclo[20.2.2.13,10.04,9.016,20.014,27]heptacosa-1(24),11,22,25-tetraene-15,17,19-trione","4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide","Oxybutynin N-oxide","2-Aminobutyric acid","2-((Dimethylamino)methyl)cyclohexanone","Neoechinulin B","6-Benzamidopurine","Pro-Arg","Furosine","beta-aspartyl-leucine","5-[(Z)-Nonadec-10-enyl]benzene-1,3-diol","2-Benzenesulfonamido-5-propylbenzoic acid","3-Aminodecanoic acid","3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine","Car(18:0)","25-Cinnamoyl-vulgaroside","Methylergometrine","(1R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21R)-20,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid","1-(11Z,14Z-eicosadienoyl)-2-docosanoyl-glycero-3-phosphate","2-cyclohexyl-5-nitro-1H-benzimidazole","Violaceol i","N-(4-methoxyphenyl)-2-(piperazin-1-yl)acetamide","4,4'-Thiodianiline","4-Bromo-2,5-Dimethoxyphenethylamine","2-Amino-2-methyl-1-propanol","N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide","Creatine","N-acetyl-alpha-D-galactosamine","Hydroxyprolyl-Hydroxyproline","Phenothrin","Nonanoylcarnitine (C9:0)","Methyl 2-amino-3-hydroxybutanoate","Rubraflavone B","Oxidized dinoflagellate luciferin","N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]glutamic acid","Tyr-Asn","7-Hydroxyquetiapine","3-Succinoylpyridine","(4S)-4-Amino-5-hydroxypentanoic acid","1-Phenyl-3-(2,6-xylyl)-2-thiourea","[2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5alpha,6alpha)-(5'alpha,6'alpha)-","Mulberrofuran A","Tryptophan Tryptophan dipeptide","2-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol","4-Chloro-5-morpholin-4-ylpyridazin-3(2H)-one","Asp-Arg","N,N-Dimethylarginine (ADMA)","1-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine","Pehanorm","(8R)-N-[1-hydroxymethyl(propyl)]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide","Desmosterol","2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-phenylethanone","9(10)-EpOME","His-Ala","alpha-Kirondrin","Palmitic monoisopropanolamide, (R)-","Piperlonguminine","Isovalerylcarnitine (C5:0)","8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-","PC(18:2(9Z,12Z)/P-18:1(9Z))","1-(Piperidin-2-yl)propan-2-ol","cis-p-Coumaroylcorosolic acid","Behenyl Alcohol","Acetoin","RCS-4 N-(5-carboxypentyl) metabolite","Mantabegron","6,7-Diphenylpterin","Solasodiene","1,2-Dimethylimidazole","Methyl 6-O-galloyl-b-D-glucopyranoside","Desthiobiotin","Dimethylethanolamine","2-(1H-Benzimidazol-2-ylamino)-6-methyl-4-pyrimidinol","7-Methyladenine","N-(2,5-Dihydroxyphenyl)acetamide","2-Methylbutylamine","Camelledionol","N-Benzyl-2-phenyl-4-quinazolinamine","Saccharopine","4-Methyl Erlotinib Hydrochloride","Nitroxoline","Tyramine","Erysubin F","h-d-Tyr-otbu","1'-O-Acetylpaxilline","Isoroquefortine C","1-alpha-Acevaltrate","7(14)-Bisabolene-2,3,10,11-tetrol","Deoxyadenosine","N-acetyl-3,4-methylenedioxymethcathinone","PC(35:3)","3-(5-methoxy-1H-indol-3-yl)propanoic acid","2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one","1,3,7-Trimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione","(2R,3S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid","2,4,14-Eicosatrienoic acid isobutylamide","Azetidine-2-carboxylic acid","4,8-Methano(1,4)oxaazacyclododecino(9,10-b)indole-2,5(1H,4H)-dione, 8-ethyl-6,7,8,9,10,11-hexahydro-","Phthalimidine","Acylcarnitine C10:1","2-Pyrimidinecarboxylic acid, methyl ester","Isobutyrylcarnitine (C4:0)","3-Hydroxyhexadecanoylcarnitine (C16:0,OH)","Procaterol free base","2-[[(3-Fluorophenyl)methyl-methylamino]methyl]quinazolin-4-amine","1beta,3alpha,7alpha-Trihydroxy-5beta-cholan-24-oic Acid","N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine","3-Hydroxy-4'-methoxyflavone","Lysyl-Gamma-glutamate","3-Pyridylacetic acid","Notoginsenoside R10","PC(P-18:0/18:1(9Z))","Alanine","3-Pyridinecarboxaldehyde","1-Ethyl-2-Methylbenzene","Prostaglandin PGE2 1-glyceryl ester","(13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline","3alpha,6beta,7beta,12beta-Tetrahydroxy-5beta-cholan-24-oic Acid","Rosellichalasin","(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid","Rel-2-amino-5-((((1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl)amino)methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","4-(1H-indol-3-yl)-1-(morpholin-4-yl)butan-1-one","Choline","3-Hydroxy-2-[[1-[2-[(4-hydroxybenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]benzoic acid","(1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one","Trandolaprilat","DG(18:3(6Z,9Z,12Z)/15:0/0:0)","PA(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))","Fluorene-1-carboxylic acid","Asn-Arg","L-Alanyl-L-proline","Tyrosyl-proline","Nandrolone","4-((2-Carboxyethyl)amino)butanoic acid","AM2201 7-hydroxyindole metabolite","(indol-3-yl)acetyl-proline","Phthalide","Butacaine","2-(4-Nitrophenoxy)ethanol","Fuziline","N1-Methyl-2-pyridone-5-carboxamide","Val-Gly","Acylcarnitine C10:3","Pro-Asp","(1S,6S,9S,14R,17S,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one","Acylcarnitine C10:4","Peimisine","(5a)-5'-Hydroxy-1'H-androstano(3,2-c)pyrazol-17-one","(2S)-5-amino-2-[[(2R,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoic acid","3'-Hydroxystanozolol","5-[(2-Methoxyethyl)amino]-1,3,4-thiadiazole-2-thiol","N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide","Leucine","2-[(2-Azaniumyl-3-methylpentanoyl)amino]propanoate","Finasteride carboxylic acid","PC(18:1(9Z)/14:0)","Camylofin","3-Amino-2,3-dihydrobenzoic acid","N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-hydroxypentyl)-1H-indole-3-carboxamide","Metapristone","(2E,4E,9Z,12Z)-1-piperidin-1-yloctadeca-2,4,9,12-tetraen-1-one","Arecaidine","Phosmet oxon","10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one","2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone","3,5-bis(4-methoxybenzylidene)tetrahydro-4H-thiopyran-4-one","Alpha-Trisaccharide","1,8-Diaminonaphthalene","4-Methylbenzylamine","9-Deazaguanine","3-hydroxyoct-1-enoylglycine","JWH 203 N-pentanoic acid metabolite","22-Acetylpriverogenin B","Mestranol","Panaquinquecol 6","3-Hydroxy-2',4,4',6'-tetramethoxychalcone","3-{[(1Z)-4-(4-hydroxyphenyl)phthalazin-1(2H)-ylidene]amino}phenol","4-Hydroxynonenal glutathione","3,4-Dihydroxy-phenylalanine","3,4,5-Piperidinetriol,2-(hydroxymethyl)-1-methyl-, (2R,3R,4R,5S)-","Isoguvacine","7alpha-Thiospironolactone","N1,N12-Diacetylspermine","3'-O-methylcytidine","4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine","2-(Hydroxymethyl)-2-(octylamino)propane-1,3-diol","8-Hydroxy-7-methylguanine","1-Acetylcyclohexene","Scutellarein 4'-methyl ether","Histidylproline","(2S)-N-methylpyrrolidine-2-carboxamide","3-Hydroxybutyrylcarnitine (C4:0,OH)","(2R)-3-(tert-butylamino)propane-1,2-diol","Ethyl 1-aminocyclopentanecarboxylate","Methyl 1-((2'-cyano(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1H-benzimidazole-7-carboxylate","5-(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)pentanoic acid","Mangostenone B","Hydromorphone","3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide","1-Methylxanthine","Leu-Asp","Pentobarbital","Cycloheptatriene","Methyl-alpha-aminoisobutyric acid","(14Z)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione","valeronitrile","1-(2,5-Dimethylphenoxy)-3-(morpholin-4-yl)propan-2-ol","3(2H)-Pyridazinone, 4-chloro-2-methyl-5-morpholino-","3-Aminocoumarin","L-isoleucyl-D-phenylalanine","Glutaminylglutamic acid","Kanamycin D","3-[4,7-dimethyl-1-[(E)-prop-1-enyl]-1,5,6,7,8,8a-hexahydronaphthalene-2-carbonyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one","Kanamycin B","Methyl Ricinoleate","PS(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))","1-(2,2,2-Trifluoroethyl)piperidin-4-amine","Lauric diethanolamide","6'-Oxokanamycin X","1,2-Benzenediamine, N1,N1-dimethyl-","N-benzyl-1-pentyl-1H-indole-3-carboxamide","N,N'-bis(2-methylpropyl)oxamide","2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid","2-Hydrazinyl-4,6-di(piperidin-1-yl)-1,3,5-triazine","Desmethylastemizole","N-(3-propan-2-yloxypropyl)-7H-purin-6-amine","Fluocinolone Acetonide","Veranisatin B","2,6-Dimethylpyrazine","N-Acetyl-L-glutamate 5-semialdehyde","(3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one","alanyl-gamma-glutamyl-lysyl-alanine","Acylcarnitine C14:0,COOH","2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam","Ethyl cyanoacrylate","PC(42:6)","n-Benzylacetamidine","PC(18:0/14:0)","Dihydro-¦Â-erythroidine (hydrobromide)","Quinolactacin E","5-(Ethoxymethyl)-2-methyl-4-pyrimidinamine","1,4-Bis(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan","Butorphanol","Piperidine-2,6-dicarbonitrile","1-Hexadecylthiophosphorylcholine","N-(13-Methyltetradecyl)acetamide","N-6-methyl-2-deoxyadenosine","Guanosine","Butylimidazole","Arachidonoylcarnitine (C20:4)","4-Chloro-6-(4-propyl-phenoxy)-pyrimidin-2-ylamine","Urobilinogen","[5-Chloro-2-(4-propionylpiperazin-1-yl)phenyl]amine","Fluvoxamine Acid","Bullatine B","8-Acetamido-2-methyl-7-oxononanoic acid","N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide","3-Methylxanthine","Tridecanoylcarnitine (C13:0)","4-(Trifluoromethyl)piperidine","9-Hydroxy-4-methoxypsoralen 9-glucoside","Piconol","3-Hydroxydodeca-6,9-dienoylcarnitine","Neosolaniol 8-isobutyrate","Spisulosine","2,2'-Bipyridine","2,11-Dimethoxy-9-(2-methylbut-3-en-2-yl)-14-propan-2-yl-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione","2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)aniline","Amphibine H","LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Acylcarnitine C14:4","1-pentyl-N-(quinolin-8-yl)-1H-indazole-3-carboxamide","4-(Difluoromethyl)-2-hydrazino-6-(3-methoxyphenyl)pyrimidine","Nervonyl carnitine [M]","3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyletin","N6-Methyllysine","gamma-Hydroxy-3-pyridinebutanoate","Valerylcarnitine (C5:0)","2-Hydroxyadenine","2-phenyl-2H,4H,5H-pyrazolo(3,4-c)quinolin-4-one","10H-Phenothiazine-10-ethanamine, N,N,alpha-trimethyl-, 5-oxide","Stigmasterol","(Z)-3-[2-(1,3-benzodioxol-5-yl)-4-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one","1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphocholine","SAHA-BPyne","6-Maleimidohexanoic acid","4-Morpholineacetic acid","2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one","N,N-Diethylisonicotinamide","Hydroxy Terbinafine","(3R,4S)-pyrrolidine-3,4-diol","(R)-2-Methylpyrrolidine","2-(3-Pyridinyl)-1-azabicyclo(3.2.2)nonane","Phosphonic acid, P-(hydroxyphenylmethyl)-, dibutyl ester","(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid","Taichunamide H","Tomatidine","9-(2-Morpholinoethyl)adenine","D-Lysergic acid N,N-diethylamide","Carboxy methyl lysine","LPC(O-24:1)","1-Myristoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphocholine","Tryptophyl-Proline","3-(2-Methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3h)-one","(+-)-Anabasine","Phe-Pro","2,2-Diethoxyacetamide","6,16,18-Trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol","Phenylalanylphenylalanine","D-Alpha-aminobutyric acid","Acetone oxime","PC(30:0)","(+/-)14(15)-Eet-SI","LPE(16:0)","1-(tetrahydro-2H-thiopyran-4-yl)piperazine","Biapigenin","Carbobenzyloxyglycyl-L-norleucine methyl ester","Lomustine","Forasartan","3'-O-Methyladenosine","2-(3,5-Dichlorophenyl)-2-(dimethylamino)acetic acid","2-Amino-4-Methoxypyridine","Spectinomycin","N,N-dimethyl-L-histidine","11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaene","Butanoyl 2-amino-5-(diaminomethylideneamino)pentanoate","Urocanic acid","3-[3-(2-Cyanoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanenitrile","2,3-Dimethylpyrazine","2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole","2-phenylthio-N-(3-pyridylmethyl)acetamide","1,3-Bis(2-methylprop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione","MAM-2201 N-(4-hydroxypentyl)metabolite","1-Pentadecanoyl-2-(1-enyl-vaccenoyl)-sn-glycero-3-phosphocholine","Arg-Gly","2,8-Diazaspiro[5.5]undecane-1,7-dione","Nefazodone","Arg-Glu","Nicotinamide adenine dinucleotide (NAD)","Tetraethylene glycol","5-Hydroxydopamine","Hydracarbazine","LPS(18:1)","19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5S,7S,9R,11,15R,hexamethyl-8-oxo-2E,10E,12E,16Z,18E-nonadecapentaenoic acid","2-Acetylfuran","Piperine","7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene","Flavodic Acid","Dimethylsphingosine","Aspartate","(+)-Penbutolol","Diacetyl","(3R,5R,6S,7S,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione","LPS(18:0)","Coproporphyrin III","5-Aminopentanoic acid","16beta-Hydroxyfurazabol","4,6-Dimethyl-2(1H)-pyrimidinone","Paromomycin","(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid","2-[(E)-{2-[(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene}methyl]-6-(prop-2-en-1-yl)phenolate","2-Pyridinemethanamine","3-Aminopiperidin-2-one","1-Phenyl-2-(pyrrolidin-1-yl)heptan-1-one","5-Aminolevulinic acid hexyl ester","n-(2,4-Dimethylphenyl)-4-methylbenzenesulfonamide","Hydrocortisone-17-acetate","Dexamethasone-21-acetate","10H-phenothiazin-10-yl(piperidin-1-yl)methanone","Tris(2,4-di-tert-butylphenyl)phosphate","6-Chloropurine","Ubenimex","2-[[1-[[(3E,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoylamino]-3-methylbutanoic acid","1,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-","Quinquenoside F1","Tyrosyl-Lysine","Betaine","Formylfusarochromanone","NAE(16:0)","PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)","Daminozide","1-Phenyl-1,3-octadecanedione","Manglupenone","para-Imazamethabenz methyl","(R)-Metalaxyl","Pipernonaline","1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide","6-chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole","2-(3-Carboxy-3-aminopropyl)-L-histidine","5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one","gamma-Glutamylalanine","Cyclo(Pro-Gly)","Isoleucyl-prolyl-proline","Homostachydrine","3-(Piperidin-4-yl)propanoic acid","N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide","N-oleoyl-tyrosine","Acylcarnitine C14:0,OH","Azelaoyl PAF","LPC(24:6)","2-(4-Aminopiperidin-1-yl)cyclohexan-1-ol","rac-methyl (2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylate, trans","Palmitamide","1-(2-Hydroxyethyl)-3-Methyl-6,7-Dihydro-5~{h}-Indazol-4-One","N-Methylpropanamide","Homocysteine thiolactone, DL-","Ethyl N2-acetyl-argininate","Leu-Arg","N-Methylalanine","N-oleoyl-arginine","PC(37:6)","2'-Dehydrokanamycin A","1-Cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea","(2S,3R)-2-aminoheptadecane-1,3-diol","Dipropofo","Estriol 17-glucuronide","(10R,11R,12Z,17Z,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone","4R-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1S-methanol","8-Octanelactam","2-Methylimidazole","LPC(15:1)","9-Azabicyclo(3.3.1)nonan-3-one","M-Anisidine","N-Carbamoylputrescine","D-Urobilinogen","Nandrolone Decanoate","Ile-Asp","ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","8-amino-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","Globularin","6-Hydroxynorleucine","4-Methylhistamine","PC(38:1)","Glutarylcarnitine (C5:0,COOH)","4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine","(10R,13S,17S)-10,13-Dimethyl-3,6-dioxo-2,3,6,7,8,9,10, 11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl heptanoate","6-(3,4-Dimethoxyphenyl)-1,3,5-triazine-2,4-diamine","4-Ethoxy-7-methoxycoumarin","(1-Methyl-1H-imidazol-2-yl)acetic acid","1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea","PC(44:11)","3-Aminophenol","1-(11Z,14Z-eicosadienoyl)-2-pentadecanoyl-glycero-3-phosphocholine","2-Phenylpropionaldehyde dimethyl acetal","1-Methylpyrrolidine","gamma-Glutamyl-beta-aminopropiononitrile","2-Amino-6-ethylpyrimidin-4-ol","1-Palmitoleoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphocholine","Brassica napus non-fluorescent chlorophyll catabolite 3","Dapdiamide B","1,2-Diethylhydrazine","Nalbuphine","3-Methoxypyridine","2-[(5Z)-tetradec-5-en-1-yl]cyclobutan-1-one","(2S)-2-[[(2R,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylbutanoic acid","Adiponitrile","4-Amino musk xylene","Tiliquinol","(1R,4R,5R,7R,8R,11R,17S,18S)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione","(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid","beta-apo-10'-Carotenal","N,N'-Dimethylarginine (SDMA)","4-Hydroxyproline","1-Nonadecanoyl-glycero-3-phosphoserine","N-2-Ethylhexylbicycloheptenedicarboximide","5'-(furan-3-yl)-4a-hydroxy-4,7-dimethylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-2,2'-dione","4-Chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine","2-(4-Nitrophenoxy)propanoic acid","Bontril","Cinncassiol E","1-Aziridineethanol","Oryzarol","3-Methoxytyramine","Cyproterone Acetate","3-Methylcrotonylglycine","hexadeca-6,9,12-trienedioylcarnitine","H-Val-Tyr-OH","Propanenitrile, 3,3'-[oxybis(2,1-ethanediyloxy)]bis-","2-Amino-5-nitrobenzamide","methyl 3-[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]-2-(4-oxoquinazolin-3-yl)propanoate","2-Aminohexanamide","DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/0:0)","sn-2-C16:0-DCA-LPA","Hydroxyprolyl-Proline","3-(4-Methylpiperazin-1-yl)propanehydrazide","Acylcarnitine C16:3,OH","Deltarasin","2-Methylacetophenone","DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/0:0)","HBA","N2-(2-Carboxyethyl)arginine","5-Hydroxytryptophol (5HTOL)","Aprobarbital","L-phenylalanyl-L-glutamic acid","5-Hydroxypipecolic acid","Pentadecylamine","Gelomulide N","Benzamidoxime","2-(4-aminopiperidin-1-yl)-N-methylacetamide","3-Pyridol","alpha-Methyltyrosine methyl ester","2-O-ethyl PAF C-16","Na,Na-Dimethylhistamine","Resmethrin","3-Amino-3-(4-hydroxyphenyl)propanoic acid","Formononetin-7-O-Glucuronide","7-[2,6-Dimethyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid","Lauramine oxide","4-Methylimidazole","Lys-Ala","(2-Nitroethyl)benzene","alpha-Eleostearic acid","Citric acid, 2-stearyl ester","Alanyl-gamma-glutamyl-meso-2,6-diaminoheptanedioate","1-(3,4-Dimethoxyphenyl)-5-hydroxydecan-3-one","beta-Sitostenone","2-Methyl-5-Nitroaniline","N-Formylnornicotine","(2-Amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-methylphenyl)methanone","2,4-Diaminopyridine","LPE(18:1(9Z)/0:0)","Hypaconitine","2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside]","Tagitinim C","N-(4-Hydroxy-2-methyl-6-quinolinyl)acetamide","2,4-Dihydroxy-5-tert-butylbenzophenone","2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl 2-methylpropanoate","2,4,6-trihydroxy-5-[1-[4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde","Oxindole","1-Octadecanoyl-2-pentadecanoyl-glycero-3-phosphoserine","Nicotinuric acid","1-methylpiperidine-3-carboxylic Acid","Isocarbamid","PC(42:11)","2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile","9alpha-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione","1-(Morpholin-4-yl)hexadecan-1-one","Leu-Ile","LPC(18:2/0:0)","GK dipeptide","Pitheduloside B","Voacamine","diphthine","Norharman","Urea, N'-cyclohexyl-N,N-dimethyl-","(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,9R,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]oxane-2-carboxylic acid","Valyl-Hydroxyproline","6-Methylnicotinamide","9-Ethyladenine","5-(Allylamino)-1,3,4-thiadiazole-2-thiol","Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate","Butyramide","Murrastifoline F","(+/-)-Rollipyrrole","2,2',2'',2'''-(Benzene-1,2-diyldinitrilo)tetraethanol","N-Methyltyramine","3-Hydroxy-2-methylpyridine","alpha-Pyrrolidinononanophenone","Okaramine B","2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide","4-(Dimethylamino)benzaldehyde N-phenylthiosemicarbazone","Okaramine D","Triamcinolone Diacetate","Nicotinamide","5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B","Ile-Ala","PC(14:0/14:0)","Dopamantine","[(1'R,2R,3'Z,5'R,7'S,11'S,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] 2-phenylacetate","Isonipecotic Acid","(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione","3beta-Ergosta-5,23-dien-3-ol","2-(5-Methyl-2-furyl)benzimidazole","N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide","(3S)-3-(3,4-dihydroxyphenyl)-8-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one","Leucyl-leucine","Nisinic acid","Dodemorph","Jasplakinolide","Acylcarnitine C22:1","Picolinic acid","PC(34:3)","2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide","N-(2,3-Dihydroxypropyl)valine","Tridemorph","Cosahexaenoic acid","Docosadienoylcarnitine","Penitrem A","Pyridoxamine","Pinolidoxin","N-Acetyl-3-methylhistidine","5-Amino-2-methoxyphenol","Rilmenidine","5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one","4-(3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-di","S-Adenosylmethionine","1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose","Methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate","2-Tolylbiguanide","Nylidrin","Cer(d16:1/20:43OH(5S,6R,15S))","(2S)-2-[[(2R,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid","11,17,21-Trihydroxypregna-1,4-diene-3,20-dione","1-Hexadecanoylpyrrolidine","3-[14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","o-Phenetidine","alanyl-gamma-glutamyl-meso-2,6-diaminopimeloyl-alanine","Ethyl 3-amino-4-(methylsulfonyl)-5-(methylthio)thiophene-2-carboxylate","Hexadecyl (E)-ferulate","Absinthin (van)","LPC(20:0)","1-Oxazolo[4,5-b]pyridin-2-yl-6-phenyl-hexan-1-one","Sph(t18:0)","Triphenylphosphine Oxide","Acylcarnitine C9:1","17-Epimethyltestosterone","4-[2-(Trifluoromethyl)phenyl]piperidine","Aspartylglycine","1-(2-Hydroxyethyl)-3-(2-methoxyphenyl)urea","(1R,3aS,5aR,5bR,9S,11aR)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","5-acetyl-2,6-dimethyl-2,3-dihydro-1H-pyridin-4-one","Boviquinone 4","(2R,3S,5S)-Omarigliptin","N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide","(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside","5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol","7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid","Duroquinone","2-acetamido-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpropanoic acid","LPC(20:1)","Theanine","2-Linoleoyl-glycero-3-phosphate","1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine","(-)-Ecgonine methyl ester","PC(34:2)","1-[6-(Furan-2-yl)pyridin-3-yl]methanamine","Chenodeoxycholylarginine","6-Acetamido-3-oxohexanoate","2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ol","N-oleoyl phenylalanine","Brucin","2-Piperidone","Tetrahydrocolumbamine","N-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}sphingosine","Normetanephrine","Ethylene cyanohydrin","Acylcarnitine C18:1,COOH","Benzoylmesaconine","Norquetiapine","(2S)-2-azaniumyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate","2-Methoxy-9H-xanthen-9-one","CBMicro_026009","Pyrrolidine","(1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-((4-methyl-1-piperazinyl)methyl)-","Spirolide D","Cratoxyarborenone E","3-Chloro-4-fluoro-5-(trifluoromethyl)aniline","6'''-Deamino-6'''-oxoneomycin C","Nicotinate","Acylcarnitine C19:0,2OH","6-Amino-1-(2-methoxyethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione","3-Hydroxyacetaminophen","3'-O-Methylinosine","Propionamide","1-(Hydroxymethyl)-1,2-ethanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)","Synephrine","Insariotoxin","LPE(O-14:1)","N1-Acetylspermine","Jaceidin","Tobramycin","D-Leucine","3-Hydroxy-b,e-caroten-3'-one","Caprolactam","N-[2-(4-prenyloxyphenyl)ethyl]tiglamide","4-(4'-Methyl-[2,2'-bipyridin]-4-yl)butanoic acid","2-amino-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)propanoic acid","1-(6-Methylpyridin-3-yl)ethanamine","1H-pyrazolo(3,4-d)pyrimidin-4-amine","N-octadecyl-N'-propylsulfamide","1-Hexanol arabinosylglucoside","I(2)-D-Glucopyranoside, (3I(2),7I(2),9I(2),10I+/-,16I(2))-3-[(4-O-acetyl-I(2)-D-xylopyranosyl)oxy]-7-hydroxy-9-methyl-19-norlanosta-5,24-dien-16-yl, 6-acetate","4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene","Normorphine","(2S,3R,E)-2-Aminopentadec-4-ene-1,3-diol","N-benzyl-5-bromofuran-2-carboxamide","N-Methylanthranilic acid","Citrulline","2-[[2-[(2-Amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid","2,3,14-trihydroxy-17-(3-hydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","Imazapyr","Trenbolone","Propacetamol","Hyocholic acid","D-Glucosaminic acid","Meglumine","Picolinamide","(R*,S*)-(-)-8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone","3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol","(8S,10R,13R,17R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one","7-Hydroxycoumarinyl Arachidonate","4-Aminophenylsulphur pentafluoride","6-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde","2-Amino-6-propylpyrimidin-4-ol","7alpha,17alpha-Dimethyl-5beta-androstane-3alpha,17beta-diol","[(1S,6S,7S,8R,9R,13R,14R,16S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate","Arginine","Succinylcarnitine (C4:0,COOH)","(2Z)-2-(aminomethylidene)-3H-inden-1-one","L-balenine","Isosinomenine A","Emivirine","Malonylcarnitine (C3:0,COOH)","Threoninyl-Hydroxyproline","2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone","Piperazine-2-carboxylic acid","N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside","5-Hydroxylysine","(9E)-4,5,6-trihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,18-dione","1-Lauryl-2-pyrrolidone","gamma-Glutamylphenylalanine","25N-Nbome","4-Methyl-5-thiazoleethanol","DL-alanine","N5-(4-Methoxybenzyl)glutamine","Pro-Glu","4-Hydroxy Omeprazole Sulfide","4-(Hydroxymethyl)imidazole","3-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-5-carboxylic acid","Seryl-proline","Ergometrine","1-O-Hexadecyl-sn-glycero-3-phosphocholine (LPC(O-16:0/0:0))","2-Pivalamidoacetic acid","3-Methylpiperidin-2-one","N-(3-chloro-4-methylphenyl)-4-nitrobenzamide","Pipemidic acid","Canthaxanthin","1,4-Diethylbenzene","L-Proline, 4-hydroxy-, I(2)-D-galactopyranosyl ester, trans-","Phe-Gly","PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))","6-amino-4-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile","N-(1-azabicyclo[2.2.2]oct-3-yl)-1-methyl-1H-indole-6-carboxamide","1-(Naphthalene-2-sulfonyl)piperidine-3-carboxylic acid","N6-Acetyl-5S-hydroxy-L-lysine","Gancaonin U","Metoprolol acid","Benzenesulfonic acid, 3-amino-4-methyl-","(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol","Aromadendrin 4'-methyl ether 7-rhamnoside","Methylguanidine","3-Hexadec-15-en-7-ynyl-4-hydroxy-5-methyloxolan-2-one","6-Amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]hexanoic acid","Ornithine","2-[6-(3,4-Dihydroxy-2-methylidenebutanoyl)oxy-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoic acid","Evocarpine","Serine","Benzenamine, 3-(methylthio)-","Paramethadione","beta-homoalanyl-beta-homoleucine","2-amino-5-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-5-oxopentanoic acid","6-(5-(((S)-azetidin-2-yl)methoxy)pyridine-3-yl)hex-5-yn-1-ol","(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol","(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]butanoate","Phe-Thr","Ile-Glu","5-chloro-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one","Dibutylamine","Isozeaxanthin","2-Amino-3-cyclopropylpropanoic acid","Putreanine","Nerol","Allopurinol","N,O-Dimethyltyrosine","4-((Methylamino)acetyl)morpholine","Asterosterol","DL-Norvaline","3-(Benzoyloxy)-2-hydroxypropyl beta-d-glucopyranosiduronic acid","(-)-Synephrine","7-[1-benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid","Arg-Asp","Arg-Asn","Peimine","(S,E)-Zearalenone","Phenylpiperazine","Thioguanine","N,N-Dimethylethylenediamine","Abiraterone Acetate","PC(16:0/16:0)","LPE(O-17:1)","1-Hydroxy-3,5-dimethoxy-2,4-diprenylxanthone","Acylcarnitine C14:1,OH","1,4-beta-D-Glucan","8-Amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one","3-Amino-5-methyl-1-phenylpyrrolidin-2-one","ethyl 5-hydroxy-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate","3-Amino-2-hydroxyheptanoic acid","O-Anisidine","Acylcarnitine C5:1,OH","2-Thio-PAF","Nimbidiol","cyclo[DL-Asu-DL-Phe-DL-xiIle-DL-Pip]","Abexinostat","2,3,8,9-Tetrahydroxybenzo(1,2-b:4,5-b')bisbenzofuran-6,12-dione","2-hydroxy-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]hexadecanamide","Dynorphin B (10-13)","2-(Dimethylamino)phenol","Lys-Asn","1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine","(2S)-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoic acid","Guanine","4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","Echinopsine","Phosphinic acid, imino(di-o-phenylene)-","6alpha-Hydroxybudesonide","Pirinixic Acid Aminothiazole","2-hydroxy-N-[(4E,8Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide","1,3-Isobenzofurandione, 5-(2-phenylethynyl)-","3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione","Phlorisobutyrophenone 2-glucoside","2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid","Testosterone Enanthate","(4-Methylnaphthalen-1-yl)-(1-pent-4-enylindol-3-yl)methanone","Heliomethylamine","Pyrrolysine","2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol","4-tert-butyl-N-(4-nitrophenyl)benzamide","2-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]-5-(diaminomethylideneamino)pentanoic acid","Xinomiline","Acylcarnitine C12:1,OH","1-Benzyl-4-methylpiperazine","(25S)-Delta(7)-dafachronic acid","5-Propyl-2h-tetrazole","Penicilloic V Acid","Glycocholic acid","5-Methyltetrahydrofolic acid","(1-(5-Fluoropentyl)-3-(naphthalen-1-oyl)-6-nitroindole)","Hygromycin B","1-Methylpiperazine","3,6,9,12,15,18-Hexaoxaicosane-1,20-diol","2-Ethylpyrazine","Antibiotic X 14889C","2-Methylbutyroylcarnitine (C5:0)","(1S,2R,5S)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol","2-[2-[(2-Acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid","4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone","Carboxystrictosidine","LPC(16:0)","5-Ethyl-5-(propan-2-yl)imidazolidine-2,4-dione","Murrayazolinine","3'-Deoxyinosine","(1-(2-chloropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone","Roxithromycin","Alanylalanine (Ala-Ala)","(-)-Urobilin","L-Tryptophyl-L-lysine","Cinitapride","Lysylthreonine","3-Hydroxyisovalerylcarnitine (C5:0,OH)","Iso-Olomoucine","Desglymidodrine","Calmodulin","2-Acetamidophenyl phenyl sulfide","methyl L-tyrosinate","Peiminine","N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide","Vicenin 2","4-(4-Nitrophenoxy)benzoic acid","N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide","(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one","Leucyl-Asparagine","Tafluprost, free acid","2-(N-ethyl-m-toluidino)ethanol","2-Furancarboximidamide","3-(Dimethylamino)propanehydrazide","Ethyl 2-(methylamino)acetate","1-(2-Methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid","1-Methylhistamine","N-Acetylgalactosamine","Amastatin","isochromophilone IV","Bixin","Creatine riboside","Pyridine-2-Carbaldehyde","2-Aminonicotinic acid","(2R)-1-aminopropan-2-ol","Metyrosine","3,4-Diaminoanisole","Methyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate","Bucharidine","Myristicanol A","1,25-dihydroxyvitamin D3-26,23-lactone","(4aS,6aS,6bR,10S,12aR)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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","1,2-Diphenyl-3-pyrrolidin-1-ylpropan-1-one","Leu-Pro-Ile","1-(2-chloroethyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole","Sph(d18:0)","Fenretinide","JWH 309 5'-isomer","Leucyl-leucine-methyl ester","3-(Allylthio)-2-aminopropanoic acid","Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt","6-Hydroxytropinone","4-Hydroxydodecanedioylcarnitine","Alloisoleucine, D-","4-hydroxy-3-[2-(1H-imidazol-5-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one","Ganolucidic acid C","DL-Histidine","7-Methylisatin","Butenylcarnitine","Cembratetraene-16,2:19,6-diolide","Ortho Evra","1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone","(E)-5-(3,4,5,6-Tetrahydro-3-pyridylidenemethyl)-2-furanmethanol","[(2R,3R,4S,5R,6S,8S,13S,16S,17R)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate","Acylcarnitine C20:2,OH","Ruxolitinib","NAE(18:0)","6-(pyrrolidin-1-yl)-9H-purine","Triethanolamine","8-Propanoylneosolaniol","2-((1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)ethanol","Phenylalanine","Sph(d18:2)","TBS-Corey Lactone Aldehyde","Palmitoyleicosapentaenoyl Phosphatidylcholine","5-(Propan-2-yl)-1,2-oxazole-3-carboxylic acid","eta-Tocopherol","2,4-Dihydroxyheptadec-16-ynyl acetate","Pentaethylene glycol","4,8 Dimethylnonanoyl carnitine","2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid","Glycyl-prolyl-glutamic acid","Tryptamine","Atizoram","Nopalinic acid","N,N-Dimethyl-2,2-diphenylethylamine","Promazine","Decanoyllevocarnitine (C10:0)","L-Valyl-L-proline","3-[[4-(4-Oxidanylidene-3h-Quinazolin-2-Yl)phenyl]methyl]imidazolidine-2,4-Dione","Hydroxyfungerin A","S-Furanopetasitin","NAE(18:2)","Cytosine","6-Aminonicotinic acid","3'-Hydroxy-T2-triol","p-Malonotoluidide","Pro-Phe","2-(Dimethylamino)ethanesulfonic acid","N6-Methyladenosine","Harderoporphyrinogen","(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone","12-Ketolithocholic acid","Val-Gly-Val-Ala-Pro-Gly","2-Ethyl-4,5-dimethyloxazole","Furanogermenone","2-Hydroxyenterodiol","Lysylproline","Preethuliacoumarin","Glucofrugoside","NAE(18:1)","alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose","4-Bromoindole","reduced krill luciferin","Gentamicin A2","Calpain Inhibitor XII","Naphyrone","Nicotine","4-Isopropylacetophenone","Ethyl 2-amino-5-ethyl-3-thenoate","(-)-trans-Carveol glucoside","Statine","7alpha,12alpha-Dihydroxycholest-4-en-3-one","2,2-dichloro-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide","Piperazin-1-yl(piperidin-3-yl)methanone","Hypaphorine","Lysyl-Leucine","Acylcarnitine C16:2,OH","LPC(18:0/0:0)","Euglobal VII","4-(N-methylacetamido)benzoic acid","5-chloro-3-[(2E,6E)-7-[(2R)-5,5-dimethyl-4-oxooxolan-2-yl]-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde","Ethephon","Myristoylcarnitine (C14:0)","Piperanine","His-Trp","2,8,9-Trimethyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane","Digin","D-homoserine lactone","Tacalcitol","3-Aminobenzamide","9-Methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1,7,9-trien-11-one","LPC(O-18:1)","8-Hydroxyquinoline N-oxide","DHA ethyl ester","Dimethylglycine","Glutamine","1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol","2-(4-Benzoylpiperidine-1-carbonyl)benzoic acid","2-Hydroxy-4-methoxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-6-oxabenzocyclododecen-5-one","5-Methyl-5-(1-methylethyl)-2,4-imidazolidinedione","3-O-Benzyl-16-O-tert-butoxycarbonyl 16Alpha-Hydroxy Estrone","3-Aminobenzoic Acid","1,2,4-Trimethylbenzene","Histidine","Ser-Phe","(1-(6-fluorohexyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone","2-Carboxyoctahydroindole, (2S,3aS,7aS)-","4-(4-Methyl-1-piperazinyl)butanoic Acid","Intepirdine","Methyl 1-(cyclohexylmethyl)indole-3-carboxylate","Rutamarin","Todatriol glucoside","Valyllysine","N-Des-(4,4-difluorocyclohexanecarboxy)-N-carbobenzyloxy-3-tert-butyldimethylsilyloxymethyl Maraviroc","Acylcarnitine C14:1,COOH","Acylcarnitine C12:3","Oxazolidinones","Acylcarnitine C12:4","3,4-Dihydro-1,9(2H,10H)-acridinedione","3-(Methylthio)heptanal","2-Acetylpyrrole","Dienogest","N-(pyridin-4-ylmethyl)butan-2-amine","N-(3-Chloro-4-morpholinophenyl)-N'-hydroxyformimidamide","Ethamivan","3-Cyano-4,7-dimethylcoumarin","Dosulepin","Epirizole","2-Heptylbenzothiazole","Hydrocortamate","N-(tert-butyl)-2-(2-thienyl)acetamide","7,8-Diaminononanoic acid","6-Morpholin-4-YL-9H-purine","o-Phthalaldehyde","myristoyl ethanolamide","Methyl alpha-eleostearate","N-Acetylputrescine","2-Phenylethylamine","Acylcarnitine C10:0,OH","Tryptophan","3-Piperidinecarboxamide","AB-PINACA pentanoic acid metabolite","Xanthine","Glycine, N-(4,6-dimethyl-2-pyrimidinyl)-","Maslinic Acid","S-3-hydroxybutanoyl-alanine","PC(16:0/20:4)","1-Methyl-5-imidazoleacetic acid","Trimethylbenzene","Isonicotinamidine","Glu-Lys","2,6-diethyl-N-[1-(prop-2-en-1-yl)cyclohexyl]aniline","4-Toluamidine","3-O-Protocatechuoylceanothic acid","1-Aminopropan-2-ol","Hovenidulcioside A2","3',4'-Dimethoxy-alpha-pyrrolidinopentiophenone","isoleucyl-histidine","Citronellyl beta-sophoroside","3-[1-(2-Methylpropyl)tetrazol-5-yl]aniline","7-Methylxanthine","o-Tyrosine","1-pentyl-N-phenylindole-3-carboxamide","Pyrrole-2-carboxaldehyde","Phenylalanyl-prolyl-arginine","Acurea","5-Aminopentan-1-ol","Solasodine","2-Methyl-2-(4-nitrophenoxy)propanoic acid","Procaine","2,3,5-Trimethyl-6-[3-Oxo-3-(Piperidin-1-Yl)propyl]-7h-Furo[3,2-G][1]benzopyran-7-One","2-((3-(2,3-Dichlorophenoxy)propyl)amino)ethanol","Feruloyl-2-hydroxyputrescine","3-Methoxy-5-(2-phenylethyl)-2-prenylphenol","Thr-Pro","N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide","Methionylvaline","4-hydroxy-sphing-8-enine","alanyl-amino-4-methoxy-but-3-enoyl-alanine","Dehydrophytosphingosine (not validated, isomer of 1677)","beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose","Epolamine","Acetylpyrazine","2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide","1,2-dipalmitoyl-phosphatidylserine","N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)-1H-indole-3-carboxamide","Arg-Ala","Araliacerebroside","Isocytosine","Wikstromol","3b,24-Dihydroxy-11,13(18)-oleanadien-30,22b-olide","Desmethylcarvedilol","5-Oxo-L-prolyl-L-proline","Methyl pyrrole-2-carboxylate","Linalyl cinnamate","Cer(d18:1/18:1(9Z))","Nitracaine","1-Hydroxybenzotriazole","Glucosylsphingosine","Withanone","alpha-Tocopherol succinate","2-Aminoadamantane","LPE(18:2)","Riboflavin","Codeine methyl ether","2-Pyrimidinylacetic acid","Tetracosa-13,16-dienoylcarnitine","(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","AM2201 N-(3-fluoropentyl) isomer","Hepps","Deoxyinosine","6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid","SM(d34:1)","1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-","2-[(9-Benzylpurin-6-yl)amino]ethanol","dioctylamine","N-Desmethyltramadol","1-Cyclohexylmethyl-1h-indole-3-carboxylic acid","p-Hydroxyubenimex","N-(2,5-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","Aminocyclopyrachlor","N-cyclohexyl[1]benzofuro[3,2-d]pyrimidin-4-amine","Lucyobroside","Harman","DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)","Muricinine","Tropinone","Kukoamine C","Anileridine","N2-Methyl-L-arginine","Mexacarbate","Troxipide","N(1-Carboxyethyl)-lysine","2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid","6-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid","Dehydropipernonaline","8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one","Pteroyltriglutamic acid","LPC(22:0)","6-(Dimethylamino)purine","1,2,3,4-Tetrahydrophthalazine-1,4-dione","22-Deoxocucurbitacin D","6-Methylpyridine-2-carboxylic acid","N-Isopropylethylenediamine","Cinanserin","Fradiamine B","Neryl arabinofuranosyl-glucoside","2-Butyl-3-methylpyrazine","7-(Trifluoromethyl)quinoline","Arg-Val","Glu-Arg","Triethylene Glycol","LPC(0:0/18:0)","2'-O-Methyladenosine","(2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid","4-Hydroxy-1-propanoylproline","1,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-acridinone","Sonolisib","N-(2-Chlorophenyl)cinnamamide","Stigmasta-4,22-Dien-3-One","(-)-Candidone","3-Pyrrolidineacetic acid","1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-","N-Acetylcadaverine","His-Val","P-Xylene","2-Propenethioamide, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-cyano-, (E)-","Benzamide, 3,4,5-trimethoxy-N-4-morpholinyl-","1-acyl-PAF","Esprocarb","Methyl 5-methylpyridine-3-carboxylate","beta-D-erythro-Hexopyranos-2-ulose, 1,6-anhydro-3-deoxy-4-O-(phenylmethyl)-, dimethyl acetal","Cartap","3-Indolyl-beta-D-glucuronide","Fusidic Acid","21H-Biline-8,12-dipropanoic acid, 2,17-diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-","1-Benzyl-4-phenylpiperidin-4-ol","2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone","2-Aminoisobutyric acid","4-(3'-Methoxybenzoyl)-N,N-diethylbenzamide","2-[Methyl(3-phenylpropanoyl)amino]benzoic acid","2-Amino-2-methyloctanoic acid","Palmitoyl sphingomyelin","6,7-Diallyloxy-4-methylcoumarin","beta-Micropteroxanthin","1-Methylguanine","Scopoline","Enterodiol","1-Acetylpiperidine-2-carboxylic acid","Sakacin A","3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione","2'-C-Methylcytidine","Ceramide NG","2-(3,4-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","Flumethasone Pivalate","(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","N,N'-bis-(4-Ethoxyphenyl)formamidine","Isobutylbenzene","3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate","N,N'-Bis(2-hydroxyethyl)oxamide","Swainsonine","Pyrimidin-5-ol","Homotyrosine","Thiamine","D-Tryptophan","2,4-Pyridinedicarboxylic acid","2-((5,6-Diphenylfuro(2,3-D)pyrimidin-4-YL)amino)ethanol","4,4'-Bipyridine","4-Ethynylaniline","7-Methylrosmanol","8-amino-7-(carboxyamino)nonanoate","(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone","5,5-Dimethyl-1-pyrroline N-oxide","Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]","3''-Deamino-3''-hydroxykanamycin B","4-phenoxy-N-(pyridin-2-ylmethyl)benzamide","Acetylcarnitine (C2:0)","1,3-Dimethyl-2-imidazolidinone","delta6-Testosterone enanthate","N-(2-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","1-Methylpyrrolidine-2-carboxylic acid","6-Amino-2-(4-aminobutanamido)hexanoic acid","Alverine","PE(18:3(9Z,12Z,15Z)/22:0)","(2S)-2-amino-5-(1-aminobut-3-enylideneamino)pentanoic Acid","Thioetheramide PC","2-Chloro-N-(naphthalen-2-yl)acetamide","(3Z,9E)-16-benzyl-2,5,12-trihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-18-one","Acylcarnitine C16:1,OH","2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile","Rhusflavone","1-(1-(3-Methoxyphenyl)cyclohexyl)piperidine","N6-Acetyllysine","5-Amino-2-hydroxytoluene","(1R,4Z,7R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione","L-Isoleucinamide","(2E,4E)-N-Isobutyl-6-(2-thienyl)hexa-2,4-dienamide","Diphenoxylate","Spermidine","[(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate","5,13,15-Trihydroxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","2-(4-amino-2-nitroanilino)ethanol","Pubescine","PC(40:6)","1-[(3-Methoxyphenyl)methyl]piperidin-4-amine","1-tert-Butyl 3-methyl 5-hydroxypiperidine-1,3-dicarboxylate","Pirenperone","Fagomine","2-(2-Oxopyrrolidin-1-yl)acetic acid","2-(Methylamino)-1-(pyrrolidin-1-yl)ethanone","2-(4-Nitrophenyl)butyric acid","Ethyl 4-amino-1-piperidinecarboxylate","Neburon","I-Cbp112","2-Methylaminoadenosine","Metanephrine","p-Phenylenediamine","(-)-erythro-Anethole glycol 2-glucoside","D-Apio-beta-D-furanoside, 3,4-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-yl, (2R-trans)-","Secoeremopetasitolide B","Linolenoylcarnitine (C18:3)","4-Formylaminoantipyrine","trans-Carboxymethylproline","(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-3-phenylpropanoic acid","2-(4-Chlorophenyl)-5-benzoxazolamine","3-Pyridinemethanol","Butyrylcarnitine (C4:0)","Cer(d18:1/16:0)","delta-Valerobetaine","2-Hydroxypyridine","Nonanohydrazide","2,6-Dihydroxyquinoline","Erinacine D","Dalfampridine","1,3-Dimethylpyrazole","N-(4-Oxazolo[4,5-b]pyridin-2-yl-phenyl)-isobutyramide","Levomethorphan","(3aR,12cS)-3a,12c-Dihydro-8-hydroxy-6,10,11-trimethoxy-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one","(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol","2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-","Formiminoglutamic acid","Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-","3,3',4'-Trihydroxy-beta,beta-caroten-4-one","N,N-Dimethylacrylamide","N,N-Dimethylformamide","Stachydrine","Val-Asp","Hexaethylene glycol","2,6-Dihydroxy-1,1,7-trimethyl-2,9,10,10a-tetrahydrophenanthren-3-one","1(4H)-Pyridinealanine, 3-hydroxy-4-oxo-","Astaxanthin","5-Hexyltetrahydro-2-furanoctanoic acid","1-pentadecanoyl-2-(11Z-eicosenoyl)-glycero-3-phosphocholine","5-[(1-Iminoethyl)amino]-2-aminopentanoic acid","Bilirubin","9-Oxo-10(E),12(E)-octadecadienoic acid","Nona-2,4,6-trienoylcarnitine","1beta-Hydroxycholic acid","trans-3-hydroxy-L-proline","8-Hydroxyadenine","Oxymetholone","DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0)","(6R,10R,13S,17S)-6-Hydroxy-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 heptanoate","4-[4-(1h-Indol-3-Yl)-3,6-Dihydropyridin-1(2h)-Yl]-1h-Pyrazolo[3,4-D]pyrimidine","Pisumionoside","Homophenylalanine","PC(O-40:8)","Acpd","Nortropine","5-Nitro-2-(piperidin-1-yl)benzoic acid","(S,S)-Anacine","rac 5-Carboxy Desisopropyl Tolterodine Methyl Ester","Ethenodeoxyadenosine","1-(2-Hydroxyethyl)-1H-pyrazole","2-Aminoadipic acid","LPE(14:0)","Benzenemethanamine, 2,4-dichloro-N-methyl-","5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile","1-Methylhistidine","tetradecasphinganine","Ac-Ser-Asp-Lys-Pro-OH","Ramiprilat","Laurelliptine","LPC(17:0/0:0)","2-Phenylpropanal","[5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate","6-N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-N-phenyl-7H-purine-2,6-diamine","4-Methylbenzamide","Glycochenodeoxycholic acid","6'-Oxogentamicin X2","(9Z,12Z)-Octadeca-9,12-dienoic acid, diester with glycerol","4-Dimethylamino-butyric acid","N-Acetyl-9-aminominocycline, (4R)-","5-chloro-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide","5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide","3-Hydroxyoctadecenoylcarnitine (C18:1,OH)","2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol","2-amino-8-hydroxyoctanoate","LysoPE(0:0/18:0)","PG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))","Lysine conjugated cholic acid","Tetramethylthiourea","4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol","N2-Acetyllysine","(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","2-(4-Methoxystyryl)quinazolin-4(3H)-one","Glutathionylspermidine","5-(2-Hydroxyethyl)-6-methyl-2-phenylpyrimidin-4(1h)-one","(3S,5R,8R,11R,14R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol","N,N-dimethyl-2-(methylamino)acetamide","(1R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol","2-(4-Aminopiperidin-1-yl)acetamide","1,4-Dihydro-4-oxo-6-(phenylmethyl)-3-pyridinecarboxamide","Anabasine","Esmolol","Methionine","Arachidonic Acid Leelamide","Prexasertib","7-(2-Cyclopentylidenehydrazinyl)-7-oxoheptanoic acid","Chenodeoxycholyllysine","5-Formiminotetrahydrofolate","Eremopetasitenin D2","L-Pyridosine","6-(Dimethylamino)-4-oxohexanoic acid","2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-9,10-dioxo-","Nonaethylene glycol","Cyclo(Gly-Leu)","1-Hydroxytropane","N-Acetylarginine","Carnosine","3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid","Metaraminol","Histidinyl-Gamma-glutamate","Resiniferatoxin","Spironolactone","Ile-Pro","Flurtamone","1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-5,6-dihydroxy-2,3-dihydroindol-1-ium-2-carboxylate","3'-(1''-(3-Methylbutanoyl))-angeloyl vaginidiol","Hexamethylquercetagetin","1-Cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","Tetracaine","1-Methylhypoxanthine","PC(36:5)","2-Anilinocyclohexanone","Tenuazonic Acid","Robalzotan","Domoic Acid","(2R)-1-methylpyrrolidine-2-carboxylic acid","N1,N8-Diacetylspermidine","Cycloleucine","3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid","N-Acetylmannosamine","2-morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one","Budesonide","Trifluoperazine","4-Amino-1-methylpiperidine-4-carbonitrile","Norleucine","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))","Lauroylcarnitine (C12:0)","4-(Dimethylamino)phenylalanine","L-Threonine,O-(1,1-dimethylethyl)-,methylester","N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide","Acylcarnitine C5:0,OH","Barbital","PC(36:3)","5-(1-Piperazinyl)-2-pyridinamine","N-palmitoyl-arginine","(S)-Edulinine","Amb, (+-)-","Aminopicoline","2-(furan-2-yl)-4,5-diphenyl-1H-imidazole","3-Hydroxystearoylcarnitine (C18:0,OH)","2-Isopropyl-6-methoxypyrazine","3-Quinolinecarboxaldehyde","alpha-HEXYLCINNAMALDEHYDE","2-Oxo-3-hydroxy-lysergide","Mibefradil","Trelagliptin","Ceanothine D","Ethyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate","Cer(d16:1/20:3(6,8,11)-OH(5))","(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside","Myrtucommulone B","N-Methylacetamide","2'-O-Methylinosine","Eremopetasitenin B2","N[(Indol-3-yl)acetyl]-lysine","Platencin","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","(2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid","Cyclo(Ala-Gly)","Cryptoxanthin, (+/-)-","4-Methyl-piperidin-(2E)-ylideneamine","1-Acetyl-3-aminopiperidine","beta-Guanidinopropionic acid","7-(Diethylamino)-3-phenyl-2H-chromen-2-one","N8-Acetylspermidine","Isopyrazam","Phe-Asn","N-Methyl-DL-alanine","1-(4-Methoxyphenyl)piperazine","N-Butylbenzene","4-Trimethylammoniobutanoate [M]","3,6,2'-Trimethoxyflavone","5-Hydroxyindole","Cholylmethionine","gamma-Glutamyllysine","4-(2-Piperidin-1-yl-ethoxy)-benzoic acid","2,5-Dimethoxyaniline","1-(Dimethylcarbamoyl)piperidine-3-carboxylic acid","Acylcarnitine C20:1,OH","(4aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","P-Anisidine","propanoyl-AMP","Tridecyl 4-hydroxybenzenepropanoate","Dimethocaine","Inosine","Mesitylene","H-Gly-Pro-Arg-OH","Tetradecadienoylcarnitine (C14:2)","4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine","9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)-","Ethyleneurea","2-Azetidinecarboxylic acid, (S)-","Pyridine-3,5-dicarboxylic acid","5-(diaminomethylideneamino)-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)pentanoic acid","Isouron","Anserine","S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea","Antibiotic SB 202742","2,5-Di-tert-butylbenzoquinone","Marmesin rhamnoside","Arg-Met","Metharbital","2-Aminopyridine","Lutein A","Acylcarnitine C15:0,COOH","[(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[12.3.1.02,4.04,13.05,10]octadecan-17-yl] propanoate","6-Dehydrotestosterone","(E)-3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile","3-Genistein-8-C-glucoside","Dihydrouracil","2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one","Monascoflavin","5-(Hydroxymethyl)pyrrolidin-2-one","Palmitoylcarnitine (C16:0)","Dextrorphan","Testosterone decanoate","beta-Bixin","Hydroxyprolyl-Threonine","(4S)-4-[(11E)-octadec-11-enoyloxy]-4-(trimethylazaniumyl)butanoate","5-Methoxybenzofuran","3,4-Dimethoxybenzohydrazide","N2-Fructopyranosylarginine","(4E)-9-(2-methylbut-3-en-2-yl)-4-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione","N-(3-methoxyphenyl)piperidin-4-amine","1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-amine","[3-[4b,8,8,10a-Tetramethyl-2'-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl] acetate","2-amino-N-(1-amino-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)propanamide","Arachidoylcarnitine (C20:0)","Ifenprodil (tartrate)","Setariol","N-(3-Chlorophenyl)guanidine","Isogingerenone B","N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide","N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide","Isopropalin","Neryl glucoside","2-[(4-Methylbenzyl)sulfanyl]aniline","2-Chloroaniline","LysoPC(20:4(8Z,11Z,14Z,17Z))","2-Hepteneoylglycine","quinolin-8-yl 1-pentylindazole-3-carboxylate","(9S,10S,12S,14E,16S,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one","L-methionyl-L-proline dipeptide","4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside","Leu-Glu","6-Ketoestriol","Danofloxacin","1-(4-Hydroxy-3-methoxyphenyl)-2-(pyrrolidin-1-yl)pentan-1-one","Tryptophan butyl ester","D-Alanine","Furmecyclox","Descarbonyl-lacosamide","3-Methyl-1H-pyrazole-4-carbaldehyde","Tramadol","(3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-ol","(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid","1,1'-(1,8-Dioxo-1,8-octanediyl)bis[glycyl-glycine","PC(14:0/16:0)","13-HoTrE","4-(2-Chlorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine","(9E)-5,6-Dihydroxy-4-methoxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,18-dione","Adipoylglycine","N-Phenylglycine","Foeniculoside V","Erucamide","Monoacetylfusarochromanone","(13E)-10-hydroxy-7,7,13,17,18-pentamethyl-20-(2-methylpropyl)-2,6,8-trioxa-21-azatetracyclo[13.7.0.01,19.05,9]docosa-13,16-diene-3,22-dione","Imiprothrin","isoleucine glutamate","2-(4-Tert-butylphenoxy)ethanamine hydrochloride","Histamine","Inulicin","N(6),N(6)-Dimethyladenosine","Oxypurinol","N-acetylsphinganine","Aspergamide A","(S,Z)-N-(2-Oxotetrahydrofuran-3-yl)tetradec-9-enamide","5'-Deoxyadenosine","Tachysterol 3","Altersetin","2-Butanol, 1-((2,3-dihydro-7-methyl-1H-inden-4-yl)oxy)-3-((1-methylethyl)amino)-, (2R,3R)-rel-","LPC(14:0/0:0)","Methionine sulfoxide","Cincassiol B","2,2,2-trifluoro-N-(4-phenylphenyl)acetamide","5-Hydroxy-4-methoxy-5-(1-oxo-9,12,15-hexadecatrienyl)-2(5H)-furanone","Raffinose","Gnoscopine","1-Methylcytosine","4-Aminobutyric acid (GABA)","2,2'-Dimethoxy-1,1'-binaphthyl","(E)-Piperolein A","N1-Methyl-4-pyridone-3-carboxamide","2-Aminohistamine","4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine","(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid","4-(1H-Pyrazol-1-yl)benzaldehyde","Imidazoleacetic acid","N-Butylpropanamide","SKF 38393 (hydrochloride)","[8-[2-[Acetyl(methyl)amino]ethyl]-3,6-dimethoxyphenanthren-4-yl] acetate","1-[(4-Nitrophenyl)amino]pyrrolidin-2-one","Acylcarnitine C20:1","5-Bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine","Hexahydroazocin-2(1H)-one","2-((2-Furylmethyl)amino)-2-methylpropan-1-OL","kipukasin D","4-Aminobutanol","Indolizine,6,7,8-tetrahydroxy-, (1S,6R,7S,8R)-","Glycodeoxycholic acid","Norvaline","Phe-Ala","N-Demethyldiltiazem","Leu-Gly"],"additional_accession":[]},"is_claimable":false,"name":"13(S)-HODE Generated by Rhizopus microsporus var. rhizopodiformis Aggravates MASLD via the Elane-PAR2-SREBP-1c Axis","description":"Abstract Objective:Metabolic Dysfunction-Associated Steatotic Liver Disease (MASLD) poses a major public health challenge. Increasing data suggest a role of gut fungi in liver disease, yet their diversity and biological function in MASLD are still poorly understood. Methods:Internal transcribed spacer (ITS) sequencing was conducted on fecal samples from 107 individuals with MASLD and 120 matched healthy controls (HC). A high-fat diet (HFD)-induced MASLD mouse model was established, and multi-omics analyses, including liver transcriptomic sequencing, qPCR, WB, and immunofluorescence, were performed to elucidate the molecular mechanisms underlying key gut fungi associated with MASLD. Microbial-derived metabolites involved in MASLD were investigated through multi-omics analyses in vitro and in vivo. Results:MASLD patients showed significantly reduced fungal diversity and richness compared with HC. The gut mycobiota of MASLD patients exhibited a marked increase in the pathogenic genus Rhizopus, particularly Rhizopus microsporus var. rhizopodiformis and R. microsporus var. chinensis, which were positively associated with hepatic steatosis and body mass index (BMI). Fecal microbiota transplantation from MASLD patients into antibiotic-treated mice induced MASLD-like phenotypes, while amphotericin B treatment mitigated disease progression. Oral administration of R. microsporus var. rhizopodiformis in HFD-fed mice aggravated gut dysbiosis, disrupted intestinal barrier integrity, and activated hepatic SREBP-1c signaling, leading to upregulation of key lipogenic enzymes ACC1 and FASN. These changes were mediated through a pro-inflammatory cascade involving the hepatic LPS–TLR4–NF-κB axis and enhanced neutrophil degranulation. 13(S)-HODE, potentially identified as a key metabolite produced by R. microsporus var. rhizopodiformis, aggravated MASLD. 13(S)-HODE promotes neutrophil trafficking to the liver, where released elastase (Elane) directly cleaves and activates the master transcription factor SREBP-1c via a non-canonical PAR2 signaling pathway, leading to uncontrolled hepatic de novo lipogenesis. Conclusion:Our findings suggest that Rhizopus microsporus var. rhizopodiformis and its candidate metabolite 13(S)-HODE are associated with MASLD progression, potentially via the Elane-PAR2-SREBP-1c axis. These observations provide a preliminary basis for further investigating the role of gut fungi in MASLD pathogenesis.","dates":{"publication":"2026-09-01","submission":"2026-09-01"},"accession":"MTBLS15516","cross_references":{}}