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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(10E,15Z)-9,12,13-Trihydroxy-10,15-octadecadienoic...-ME71443844559173---
10-formyldihydrofolic acid-ME714946----
10-HDA-ME7142365312738---
10-Nitrolinoleate10-Nitrolinoleic acidME7149785282259C13800--
10-oxo-8-decenoic acid-ME713963----
(10S)-Juvenile hormone III acid diol-ME714421----
10-Undecenoic acid10-Hendecenoic acidME714006----
11-Aminoundecanoic acid11-Aminoundecanoic acidME714621----
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic...-ME714638----
1-(1H-Indol-3-yl)-1,2-ethanediol-ME714931----
11-Nor-9-carboxy-thc-ME714488107885---
12,13-Epoxytrichothec-9-ene-4,7-diol-ME714900----
1-(2,2-Dimethyl-2H-chromen-6-yl)ethanol-ME715009----
1,2,3,4-Tetrahydro-β-carboline-3-carboxylic aci...-ME71417098285---
1,2,3,4-Tetramethyl-1,3-cyclopentadiene-ME713739138163---
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedion...-ME714997----
1-(2,4-Dihydroxyphenyl)-2-phenyl-1-propanone-ME715007----
1,2-Benzoquinone-ME714610----
1-(2-{[benzyl(methylsulfonyl)amino]methyl}phenyl)-...-ME714717----
1-(2-Carboxyethyl)-2,3,4,9-tetrahydro-1H-beta-carb...-ME714954----
1-(2-Furyl)ethanethiol-ME714024----
1-[2-(Hydroxyamino)phenyl]-1,3-decanedione-ME714984----
12-oxo-ETE12-Oxo-ETEME714953----
12-oxo Phytodienoic Acid-ME7148965280411---
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid-ME713988----
1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid-ME714533----
1,3,5-Heptatriene-ME714887----
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...CaffeineME713500----
1-(3a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrol...-ME713734----
1-(3-Amino-3-carboxypropyl)-5-oxoproline-ME713889----
1-(3-Furyl)-1,4-pentanediol-ME714190----
(±)13-HpODE13-HpODEME714112----
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,...-ME714277----
1-(3-Hydroxypropyl)-2-azetidinecarboxylic acid-ME713517----
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)t...-ME713571----
13(S)-HOTrE13S-HOTrEME71438916061072---
1,4,5-Trihydroxy-5-hydroxymethyl-2-methoxycyclohex...-ME713667----
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,2,...-ME7139002796551---
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,1...-ME713807----
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxyl...-ME714371----
1-(4-Butylphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-t...-ME714499----
1,4-Dihydro-4-imino-1-β-D-ribofuranosyl-3-pyrid...-ME713564----
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-de...-ME714100----
1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-fu...-ME714718----
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone-ME714881----
1,5-Anhydro-D-erythro-hexo-2,3-diulose-ME713989----
1,5-Dimethyl-8-[(1E)-3-oxo-1-buten-1-yl]-6-oxabicy...-ME714572----
1-(7-Amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-a...-ME714182----
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracy...-ME714402----
1,7-Dihydroxy-6,6-dimethyl-3,5,5a,6,7,8,9a,9b-octa...-ME714869----
1,7-Diphenyl-3-heptanone-ME714981----
17-(Hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2....-ME714798----
1′-Acetoxyeugenol acetate-ME714361----
1-acetyl-3-(2-furylmethylene)tetrahydropyrazine-2,...-ME714911----
1-arachidonoyl-sn-glycero-3-phosphoethanolamineLPE 20:4/0:0ME713688----
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME714202----
1-(beta-D-ribofuranosyl)thymineRibothymidineME713516----
1-Cyclohexenecarboxylic AcidCyclohex-1-enecarboxylic acidME714640----
1-(Diisobutylamino)-3-(1,3-dimethyl-2,6-dioxo-2,3,...-ME714011----
(1E)-1-(3-Oxo-6,7-dihydro-2-benzofuran-1(3H)-ylide...-ME714942----
(1E)-N-Hydroxy-4-(methylsulfanyl)-1-butanimine-ME713732----
1-guanidino-1-deoxy-scyllo-inositol1-Guanidino-1-deoxy-scyllo-inositolME714553----
1H-Benzimidazol-5-ol-ME713759----
1-heptadecen-4,6-diyn-3,9,10-triolPanaxytriolME714635----
1-Isopropenyl-3-isopropylbenzene-ME714404----
1-Isopropyl-4,8-dimethyl-9-oxospiro[4.5]dec-7-en-2...-ME714013----
1-(malonylamino)cyclopropane-1-carboxylic acid-ME714107----
1-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline-1,3-...-ME714510----
1-Methylguanine1-MethylguanineME71404170315---
1-Methylhistidine1-MethylhistidineME713939352019---
1-Methylimidazoleacetic acid-ME71357375810C05828--
1-Methylinosine1-MethylinosineME713675----
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butaned...-ME713812----
1-Methyluric acid1-Methyluric acidME71363869726C16359--
1-nonanoic acid-ME7137118158C01601--
1-O-[2-(Methylamino)benzoyl]-beta-D-glucopyranose-ME714239----
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione-ME713843----
1-Phenyl-2-hexanone-ME714772----
1-Piperideine1-PiperideineME713720----
(1R,2S)-1-(7,8-Dihydro-6-pteridinyl)-1,2-propanedi...-ME713830----
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-...-ME71366872550682---
(1R,5R)-3,3,5-Trimethylcyclohexyl 5-oxo-L-prolinat...-ME714848----
[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid-ME714267----
(1S,2R)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-...-ME713736----
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobut...-ME714929----
(1S,2S,4aR,7R,8aR)-1-[(3Z)-5-hydroxy-3-methylpent-...-ME714846----
(1S,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid-ME714264----
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-pen...-ME71453523928101---
(1S,4aS,5R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-m...-ME71418324094148---
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetra...-ME713802----
(1S,5R)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl b...-ME714964----
(1S)-6-Acetamidooctahydro-1-indolizinyl acetate-ME714800----
(1S,6R,11aR,13R,14aS)-1,13-dihydroxy-6-methyl-1H,4...-ME714265----
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate-ME714609----
1-Tetradecylamine-ME71481616217---
1-Vinylimidazole-ME71429166171---
(1Z)-N-[2-(3-Hydroxy-5-methoxy-2,3-dihydro-1H-indo...-ME714791----
2-(1,2-Dihydroxy-2-propanyl)-6,10-dimethylspiro[4....-ME714864----
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic ...-ME713904----
2,2'-[1,2-Propanediylbis(oxy)]diethanol-ME714578----
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dih...-ME714691----
2,2,3-Trimethyl-5-oxo-3-cyclopentene-1-acetic acid-ME714029----
2-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]p...-ME714396----
2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-o...-ME714422----
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)-ME714223549976---
(2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo...-ME714517----
2-(2E)-2-Octen-1-ylcyclopentanone-ME714655----
2-(2-Ethoxyethoxy)ethanol-ME714436----
2-(2-Hydroxy-2-propanyl)-4-methoxy-7-methyl-2,3,6,...-ME714606----
2,2'-Iminodipropan-1-ol-ME713773----
2-(2-methylthioethyl)malic acid-ME714677----
2,3,4,9-Tetrahydro-1H-beta-carboline-1,3-dicarboxy...-ME714508----
2,3,4,9-Tetrahydro-1H-ß-carboline-3-carboxylic ac...-ME714092----
235BBF3K97-ME714487----
2,3-Diaminosalicylic acid2,3-Diaminosalicylic acidME713742----
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1...-ME714536----
2,3-Dinor-11ß-prostaglandin F2a-ME714410----
2-[3-(Hydroxymethyl)-2-oxiranyl]phenol-ME714550----
2444643WXK-ME714568----
2,4,6-Octatriyn-1-ol-ME714319----
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyrano...2,4-Diacetamido-2,4,6-trideoxy-alpha-mannoseME713713----
2,4-DIFURFURYLFURAN-ME714950----
2,4'-dihydroxyacetophenone-ME714127----
2',4-Dihydroxychalcone-ME715010----
2,4-Dimethyl-5,6,7,8-tetrahydroquinoline-ME714883----
2,4-Dimethyladipic acid-ME713837----
2,4-Dimethylbenzaldehyde-ME71449761814---
2,4-Quinolinediol-ME7136366864C16716--
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid-ME714367----
2,5-Dimethyl-2,5-hexandiol-ME7138958031---
2,5-Dimethyl-4-ethoxy-3(2H)-furanone-ME714302----
2,5-Dipropyl-4-methylthiazole-ME713869----
2,5-Furandicarboxylic acid2,5-Furandicarboxylic acidME713820----
2-[(5-Hydroxy-1H-indol-3-yl)methyl]-1,3-thiazolidi...-ME714784----
2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a...-ME714356----
267Z8UAR9Q-ME713932----
2-(6-Amino-1H-purin-1-yl)ethanol-ME714151----
2,6-Diamino-4-methyleneheptanedioic acid-ME713771----
2,6-Diamino-7-hydroxynonanedioic acid-ME714185----
2,6-Dideoxy-3-C-methyl-beta-L-ribo-hexopyranose-ME713882----
2,6-dimethyldeca-2,4,6,8-tetraenedial-ME714631----
2,6-Dimethylpyrazine-ME7136477938---
2-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl...-ME714851----
(+)-2,7-Dideoxypancratistatin-ME714856----
2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one-ME714492----
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-y...-ME714963----
2-[(8E,11E,14Z)-8,11,14-Heptadecatrien-1-yl]-6-hyd...-ME714130----
2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl...-ME714452496073---
2-Acetamido-4-methylphenyl acetate-ME714464----
2-Acetamido-4-O-[2-(carboxyamino)-2-deoxy-beta-D-g...-ME714051----
2-Acetamidooctanoic acidN-Acetyl-2-aminooctanoic acidME713654----
2-Acetyl-1-methylpyrrole-ME714552----
2-Acetyl-3,5-dimethylfuran-ME714456----
2-Acetyl-4-methylpyridine-ME713733----
2-(Acetylamino)-4-phenylbutanoic acid-ME714619227943---
2-Acetylcyclohexanone-ME714074----
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME714573----
2'-Amino-2,3-biphenyldiol-ME714876----
2-Amino-2-deoxy-4-O-β-D-galactopyranosyl-D-gluc...-ME714605----
2-Amino-3-(1H-imidazol-4-yl)propanalHistidinalME714232----
2-Amino-4-{6-[(3-methyl-2-buten-1-yl)amino]-3H-pur...-ME714917----
2-Amino-6-[(E)-(5-amino-5-carboxy-2-hydroxypentyli...-ME713955----
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME713975----
2-Aminonicotinic acid2-Aminonicotinic acidME71427972930---
2-Aminooctadec-4-yne-1,3-diol-ME7146702802958---
2-Anisic acid-ME71413411370---
2-Butyl-6-methoxyphenol-ME714684----
2-[(Carboxymethyl)amino]-7-octenoic acid-ME713818----
2'-DeoxyadenosineDeoxyadenosineME71396113730C00559--
2'-DeoxycytidineDeoxycytidineME713487----
2'-Deoxycytosine-ME714022----
2-Deoxyhexopyranose-ME714903----
2'-DeoxyinosineDeoxyinosineME71440965058C05512--
2'-deoxymugineic acid-ME713753----
2'-Deoxysepiapterin2'-DeoxysepiapterinME713741----
2-Deoxystreptidine2-DeoxystreptidineME714329----
2'-DeoxyuridineDeoxyuridineME71364813712C00526--
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine-ME713858----
(2E)-2-[2-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-...-ME713874----
(2E)-2-(2-Furylmethylene)butanal-ME714085----
(2E)-2-Heptenoic acid-ME714373----
(2E)-2-Octenal-ME713631----
(2E)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(h...-ME714143----
(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid-ME714576717531---
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde-ME713482----
(2E,4E,7E)-2,4,7-Decatrienoic acid-ME714181----
(2E,4E,7Z)-2,4,7-Decatrienal-ME714733----
(2E,4Z)-2,4-Decadienal-ME714066----
(2E,4Z)-Heptadienal-ME713593----
(2E)-5-Hydroxyferulic acid-ME714141----
(2E)-5-(Methylsulfanyl)-2-[(methylsulfanyl)methyl]...-ME714296----
(2E,6Z)-Nona-2,6-dienal-ME714160----
(2E)-decenoic acid2-Decenoic acidME714068----
(2E)-N-(4-Aminobutyl)-3-(2,4-dihydroxy-3-methoxyph...-ME714547----
2-Ethyl-4,5-dimethylthiazole-ME714248----
2-formylphenylformamide-ME713674----
2H-Pyran-ME713664----
2-Hydroxy-1-(6-hydroxy-2-isopropenyl-2,3-dihydro-1...-ME714895----
2-Hydroxy-2-(2-oxopropyl)succinic acid-ME713630----
2-Hydroxy-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-he...-ME714738----
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahyd...-ME71401657509504---
2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-(2...-ME713978----
2-Hydroxy-6-[(E)-2-(4-hydroxyphenyl)vinyl]-4H-pyra...-ME714269----
2-Hydroxy-cis-hex-2,4-dienoate-ME713967----
2-Hydroxyethylclavam-ME713519----
2-Hydroxyhippuric acidSalicyluric acidME71414210253C07588--
2-(Hydroxymethyl)-3,5-dimethoxyphenol-ME714205----
2-Hydroxyquinoline2-HydroxyquinolineME7144756038C06338--
2-hydroxysebacic acid-ME713723----
2-Isobutyl-3-methylpyrazine-ME714298----
2-Keto-glutaramic acid2-Keto-glutaramic acidME714336----
2-MeO-E1-ME714650440624C05299--
(2-Methyl-3-methylenebicyclo[2.2.1]hept-2-yl)aceta...-ME714959----
2-Methyl-3-phenylpropyl hydrogen sulfate-ME713728----
2-methyl-4-ethyl-5-propyloxazole-ME714676----
2-Methyl-4-quinolinol-ME713777----
2-Methyl-5-propionylfuran-ME71462682757---
2-Methylthiazolidine2-MethylthiazolidineME713615----
2-Monocaprin-ME714949----
2'-O-Methyladenosine2'-O-MethyladenosineME714674102213---
2-OxindoleIndolin-2-oneME713661321710C12312--
2-oxo-10-methylthiodecanoic acid-ME714187----
2-Oxo-5-pentyltetrahydro-3-furancarboxylic acid-ME713827----
2-Oxo-6-pentyltetrahydro-2H-pyran-3-carboxylic aci...-ME714133----
2-oxo-8-methylthiooctanoic acid-ME714378----
2-oxo-9-methylthiononanoic acid-ME714888----
2-Phenylethyl D-glucopyranoside-ME714332----
2-Propionyl-1,4,5,6-tetrahydropyridine-ME714986----
2-Propyl-2,4-pentadienoic acidCaprylic acidME713958----
2-Propylfuran-ME714947----
2-Pyrrolidone2-PyrrolidinoneME714335----
2-Quinolinecarboxylic acidQuinaldic acidME7136807124C06325--
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl...-ME714423----
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methox...-ME714611----
(2R,3R,4S,5S,6R)-2-[(3Z)-hex-3-en-1-yloxy]-6-(hydr...-ME714033----
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octa...-ME713725----
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenyletho...-ME714636----
(2R)-4-[(E)-2-{[(1S)-1-Carboxy-4-hydroxybutyl]amin...-ME714485----
(2R,5R)-2-Benzyl-5-(hydroxymethyl)-2,5-dihydro-2,3...-ME714282----
(2R,6S)-2,6-Diamino-3-hydroxyheptanedioic acid-ME714523----
(2S)-2-Acetamido-4-aminobutanoic acid-ME713915----
(2S)-2-Amino-4-hexynoic acid-ME713790----
(2S)-2-Amino-8-hydroxyoctanoic acid-ME713616----
(2S)-2-Amino-8-oxodecanoic acid-ME714451----
(2S)-2-Piperidinecarboxamide-ME713796----
(2S)-3-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(...-ME714008----
(2S)-3-Phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(...-ME714346----
(2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwit...-ME714175----
(2S,3Z,5S)-3-(2-Aminoethylidene)-7-oxo-4-oxa-1-aza...-ME715015----
(2S)-4-Acetamido-2-aminobutanoic acid-ME713926----
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(...-ME714364----
(2S)-6-Amino-2-[(E)-(hydroxymethylene)amino]hexani...-ME714855----
(2S,8R)-2-Amino-8-hydroxydecanoic acid-ME713887----
2-sec-Butyl-3-methoxypyrazine-ME713885520098---
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne-ME714157----
(2Z)-2-(3-Hydroxybenzylidene)heptanal-ME714994----
(2Z)-2-Ethyl-2-heptenal-ME713740----
(2Z)-2-Nonenoic acid-ME713911----
(2Z)-3-(1,3-Benzodioxol-5-yl)acrylaldehyde-ME713478----
(2Z)-3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate-ME714987----
(2Z)-3-Phenyl-2-propen-1-yl propionate-ME714604----
(2Z,4E)-2,4-Hexadienedial-ME714710----
(2Z,4E)-2,4-Octadien-1-ol-ME714392----
(2Z,4Z,6Z)-2,4,6-Nonatrienal-ME713871----
3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methox...-ME714454----
3,14-dihydro-15-keto-tetranor Prostaglandin E2-ME71480271684706---
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1...-ME71403973146465---
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine-ME714767----
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine-ME713649----
3-[2-(3-Hydroxyphenyl)ethyl]-5-methoxyphenol-ME71447910466989---
3-(2,4-Dihydroxy-3,5-dimethoxyphenyl)propanoic aci...-ME713710----
3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-...-ME715017----
3-[(2-Isopropyl-5-methylcyclohexyl)oxy]propane-1,2...-ME714222----
3-[(2Z)-1-Hydroxy-2-buten-2-yl]pentanedioic acid-ME714137----
3-[(2Z)-1-Oxo-2-buten-2-yl]pentanedioic acid-ME715003----
3,3'-(2,2'-Dihydroxy-4,4'-biphenyldiyl)bis(2-amino...-ME714905----
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy...-ME714017----
3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylide...-ME714908----
3-[(3-Methylbutyl)nitrosoamino]-2-butanone-ME714882----
3-(3-methylthio)propylmalic acid-ME714544----
3-(3-Oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)pro...-ME714512----
3-(3-Oxopropyl)phenyl hydrogen sulfate-ME714507----
3,4,5-Trimethoxyphenyl acetate-ME714761----
3,4,5-Trimethoxyphenyl ß-D-glucopyranoside-ME714702----
3,4-Didehydroretinoic acid-ME714865----
3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-ben...-ME714057----
3,4'-Dihydroxy-5,5'-dimethoxybibenzyl-ME71465410221179---
3-(4-Hydroxy-3-methoxyphenyl)-2-oxiranecarboxylic ...-ME714795----
3-(4-Hydroxyphenyl)-2-oxiranecarboxylic acid-ME714988----
3,4-Methyleneadipic acid-ME714687----
3,4-Methylenedioxyamphetamine3,4-MethylenedioxyamphetamineME7147211614---
3,4-Methylenesebacic acid-ME713993----
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propa...-ME714614----
3-(5-tert-Butyl-3-hydroxy-1,2-oxazol-4-yl)-L-alani...(S)-ATPAME714743----
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propen-1-...-ME713954----
3-Amino-2-piperidinone-ME713758----
3-Amino-4,7-dihydroxy-8-methylcoumarin3-Amino-4,7-dihydroxy-8-methylcoumarinME713862----
(3aR,4aS,5R,6S,8S,9aR)-5,6-dihydroxy-4a,8-dimethyl...-ME714742----
3-(Benzylsulfinyl)alanine-ME714549----
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8...-ME714034----
3-Carbamoyl-2-phenylpropionic acid-ME714778----
3-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxym...-ME714503----
(3E)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1...-ME714826----
(3E)-3-propylidenephthalide-ME714480----
(3E)-4,8-Dimethyl-1,3,7-nonatriene-ME714982----
(3E,5E)-3,5-Octadien-1-ol-ME714339----
3-Ethylphenol-ME713767----
3H-Cyclodeca[b]furan-2-one, 4,9-dihydroxy-6-methyl...-ME714251----
3-Hydroxy-2,4,5-pyridinetrimethanol-ME713852----
3-Hydroxy-3-methyl-2,3-dihydro[1,3]thiazolo[3,2-a]...-ME713687----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME71391986C00632--
3-hydroxy-L-glutamic acid-ME714095----
[3-(Hydroxymethyl)-3-methyl-2-oxobicyclo[2.2.1]hep...-ME714098----
3-Hydroxynonanoic acid-ME714415----
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME71422712122C05593--
3-Hydroxytridecanoic acid-ME714424----
3-Imino-1,2,4-oxadiazepane-5-carboxylic acid-ME714136----
3-Indoleacetamide1H-Indole-3-acetamideME714225----
3-Isopropenylpentanedioic acid-ME713835----
3-Methoxy-4-hydroxyhippuric acid-ME714027----
3-methoxy-4-hydroxyphenylhydracrylic acid-ME714796----
3-Methoxytyramine3-MethoxytyramineME7142951669C05587--
3-Methyl-2,5-piperazinedione-ME714198----
3-Methyl-2-butenyl caffeate-ME714502----
3-Methylbutanoic acidIsovaleric acidME714444----
3-Methylcrotonylglycine3-MethylcrotonylglycineME714158169485---
3-Methylcyclopentene-ME713510----
3-Methylenenorleucine-ME713949----
3-Methylhistidine3-MethylhistidineME713935565965---
3-Methylthiofentanyl-ME714564----
3-Methylxanthine3-MethylxanthineME71369270639C16357--
3-Nonanon-1-ol-ME713560----
3-O-methylgallic acid-ME714617----
3-oxo-C12-HSL-ME714411----
3-oxolauric acid-ME714671----
3-Oxooctanoic acid-ME714096----
3-Phenoxypyrocatechol-ME714971----
3-Phenylacrylic acidtrans-Cinnamic acidME715006----
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,...-ME714048----
(3R)-3-[(3R,5S)-7-Oxo-4-oxa-1-azabicyclo[3.2.0]hep...-ME713595----
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-...-ME714061----
(3S,9aS)-3-(1H-Imidazol-5-ylmethyl)tetrahydro-2H-p...-ME714414----
(3S,9S,14aR)-3,6-Dimethyl-9-{6-[(2S)-2-oxiranyl]-6...-ME714468----
3-Tropanol-ME713747----
3-Ureidopropionic acidUreidopropionic acidME713583111C02642--
(3Z,5Z)-6-(3,4-Dihydroxyphenyl)-4-hydroxy-3,5-hexa...-ME714065----
4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohex...-ME713947----
4-[2-(2-methylphenyl)-2-oxoethyl]benzamide-ME713553----
4-(2-Aminoethyl)phenyl β-D-glucopyranosiduronic...-ME713568----
4-(2-Hydroxy-2-propanyl)-1-cyclohexene-1-carboxyli...-ME714583----
4-[(3-Aminopropyl)amino]butanal-ME713847----
4-(3-Hydroxy-5-methoxyphenyl)-2-butanone-ME714412----
4-{[3-(Hydroxymethyl)phenyl]amino}-N-(isopropylcar...-ME714343----
4,4'-Thiobis(butan-2-one)-ME713652----
4-(5-{5-[(2S)-1-(4-Pyridinylmethyl)-2-pyrrolidinyl...-ME71416845783519---
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecah...-ME71393460208906---
4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimet...-ME713976----
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)...-ME714768----
4,6-Dimethyl-2(1H)-pyrimidinone-ME7140039508---
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME71358918189C02946--
4-ACETAMIDOBUTYRIC ACID4-Acetamidobutanoic acidME71379518189C02946--
4a-Hydroxy-2-methoxy-7,7,8b-trimethyldecahydrocycl...-ME714790----
4-Amino-3-hydroxybenzoic acid-ME713518137566---
4-Amino-4-deoxypentopyranose-ME713890----
4-aminocatechol-ME713870----
4-Amino-DL-phenylalanine-ME714433----
(4aS,5R,6S,8aS)-5-[(3E)-5-methoxy-3-methyl-5-oxope...-ME715004----
4beta-Phorbol-ME714377----
4-Butyloxazole-ME713907----
4-Butylresorcinol-ME714359----
4-Coumaric acidcis-p-Coumaric acidME714056637542C00811--
4-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic ac...-ME715000----
(4E)-1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one-ME71400023786382---
(4E)-2-Amino-3-oxo-4-decenoic acid-ME714019----
(4E)-2-Amino-3-oxo-4-undecenoic acid-ME713695----
4-Ethoxy-m-anisaldehyde-ME713876----
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one-ME714403----
4-Ethyl-6-methoxy-1,2,3-benzenetriol-ME714304----
4-Ethylbenzaldehyde-ME71449820861---
4-Ethylguaiacol-ME714819----
4-Guanidinobutyric acid4-Guanidinobutanoic acidME713524500C01035--
4-HOBA-ME714825----
4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid-ME714837----
4-Hydroxy-3-nitrosobenzamide4-Hydroxy-3-nitrosobenzamideME713910----
[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid-ME714353----
4-hydroxy-4-(indol-3-ylmethyl)glutamic acid-ME714504----
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1...-ME714538----
4-Hydroxy-5-methylfuran-3(2H)-oneNorfuraneolME714199----
4-Hydroxy-6-methyl-2-pyrone-ME71370454675757C02752--
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME714169126C00633--
4-Hydroxy-N~5~-[hydroxy(imino)methyl]ornithine-ME714967----
4-Hydroxynonenal4-HydroxynonenalME714902----
4-Hydroxyphenyl hydantoin-ME714760----
4-Hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME714990979C01179--
4-Hydroxyprolylleucine-ME713640----
4-Hydroxyprolyllysine-ME714350----
4-Hydroxyprolylvaline-ME713565----
4-(β-D-Glucopyranosyloxy)-2,5-dimethyl-3(2H)-fu...-ME713957----
4-Imidazolemethanol-ME713756----
4-IndolecarbaldehydeIndole-4-carboxaldehydeME714035333703---
4'-Methoxy-3-morpholino-propiophenone-ME714858----
4-Methoxycinnamaldehyde-ME713906641294C10475--
4-Methyl-12-oxa-4-azapentacyclo[9.6.1.0~1,13~.0~5,...-ME714288----
4-Methyl-2-[(1Z)-3-methyl-1,3-butadien-1-yl]tetrah...-ME714940----
4-Methyl-2-propyltetrahydro-2H-pyran-4-yl acetate-ME714973----
4-methyl-5-nitrocatechol-ME713682----
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxy...-ME714306----
4-Methylcarbostyril-ME714936----
4-Methylene-2-oxoglutarate2-Methylene-4-oxopentanedioic acidME714440----
4-methylocta-2,4,6-trienedial-ME714770----
4-Methylumbelliferyl-a-D-glucopyranoside-ME714571----
4-O-Acetyl-2-deoxy-2-[(Z)-(1-hydroxyethylidene)ami...-ME713700----
4-oxo-5-phenylpentanoic acid-ME714937----
4-Oxocyclohexanecarboxylic acid-ME714928----
4-oxododecanedioic acid-ME714280----
4-Oxononanal-ME713913----
4-phenylbutanic acid-O-sulphate-ME714774----
4-Piol-ME714765----
4-Pyridoxic acid4-Pyridoxic acidME7135156723C00847--
(4R,5R)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)-2-c...-ME713708----
(4R,5S,9S,10R,12S,13S)-1,5,9-Trimethyl-11,14,15,16...-ME713850----
(4R,6R)-4-Hydroxy-6-{2-[(1R,2R,3S,6R,8aR)-3-hydrox...-ME714824----
[(4R,6R)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltet...MethanolME713995----
(4S)-4-{[2-O-(beta-L-Arabinofuranosyl)-beta-L-arab...-ME714327----
(4S)-4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one-ME713969----
(4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15-tri...-ME714427----
4-Sulfanyldihydro-3(2H)-furanone-ME714101----
4-Vinylcatechol-ME714505----
4-Vinylcyclohexene-ME713644----
4-[(Z)-2-Aminovinyl]phenol-ME714992----
5-{[1-(3-Hydroxypropoxy)-2-methyl-2-propanyl]amino...-ME714603----
5-(2,4,5-Trihydroxybenzyl)dihydro-2(3H)-furanone-ME714506----
5-(2,5-dihydroxyhexyl)oxolan-2-one-ME715029----
5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo...-ME714850----
5,5'-Dihydroxy-4,4',8',8'-tetramethyl-4,5-dihydro-...-ME714189----
5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone-ME713622----
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one-ME714062----
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-di...-ME714957----
5,8,12-Trihydroxy-2-oxododecanoic acid-ME713879----
5-Amino-6-(4-hydroxybutanoyl)-2,2-dimethyl-2,3-dih...-ME713815----
5-Aminovaleric acid5-Aminopentanoic acidME713497138C00431--
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid-ME714046----
5-Benzyldihydro-2(3H)-furanone-ME714651----
5-Butyloxazole-ME714678----
(5E)-2-[(Carboxymethyl)amino]-5-octenoic acid-ME713745----
5-Ethyl-4-hydroxy-3(2H)-furanone-ME713865----
5-Formyl-2-furoic acid-ME714833----
5-Geranyloxy-8-methoxy-psoralen-ME714925----
5-guanidino-2-oxopentanoic acid-ME713623----
5-guanidino-3-methyl-2-oxopentanoic acid-ME713584----
5-Hexyl-2-oxotetrahydro-3-furancarboxylic acid5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidME714167----
5-Hydantoinpropionic acid-ME713567----
5-Hydroxy-2-furoic acid5-Hydroxy-2-furoic acidME714121----
5-Hydroxy-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H...-ME714042----
5-Hydroxy-DL-tryptophan5-Hydroxy-DL-tryptophanME713651144C01017--
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME7146251826C05635--
5-hydroxyindole acetaldehyde5-HydroxyindoleacetaldehydeME714724----
5-Hydroxypyrazinecarboxamide5-HydroxypyrazinamideME713536----
5-Hydroxytryptophol5-HydroxytryptopholME714083----
5-Isopropyl-2-methyl-2-cyclohexen-1-one-ME714237----
5-Methylcytidine5-MethylcytidineME713580----
5-Methylcytosine5-MethylcytosineME71349365040C02376--
5-methyldeoxycytidine5-MethyldeoxycytidineME713501440055C03592--
5-methylthio-2-oxopentanoic acid-ME714915----
5-methylthioribose5-MethylthioriboseME713751----
5-Nitrilonorvaline-ME713523----
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...-ME713504----
5-Pentyl-1,4-dioxan-2-one-ME714235----
5-Pentyl-2(5H)-furanone-ME714075----
5-Pentylresorcinol-ME714390----
5-Phenylvaleric acid5-Phenylvaleric acidME714448----
(5R,6R)-2,6-Dihydroxy-5-(hydroxymethyl)-2-cyclohex...-ME713948----
(5S)-3,5-Dihydroxy-5-(hydroxymethyl)-2-methoxy-2-c...-ME713878----
(5S)-5-Benzyl-2,4-imidazolidinedione-ME714532----
6-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5,5-trimethyl-7-...-ME714694----
6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicy...-ME713886----
6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-pt...-ME713620----
6-[(2E,6E)-7-(5-hydroxy-3-methyl-2-oxocyclopent-3-...-ME714776----
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norle...-ME714150----
6-(3Z)-3-Hexen-1-yltetrahydro-2H-Pyran-2-one-ME714380----
6-(5-Methyl-4-hexen-2-yl)-9H-purine-ME714700----
6-[(6-Aminohexanoyl)amino]hexanoic acid-ME713748----
6,7,9-Trihydroxy-3,6,9-trimethyl-3a,4,5,6,7,8,9,9b...-ME714731----
6,7-Dihydro-3H-purine-2,6-diamine-ME713839----
6,7-Epoxy-4,5-dihydroxy-2-octenoic Acid d-Lactone ...-ME714991----
6,9a-Dihydroxy-4-methoxy-3,4a,5-trimethyl-4a,5,6,7...-ME714756----
6-Acetamido-2-oxohexanoic acid2-Keto-6-acetamidocaproic acidME714023----
6-APA-ME714274----
6-Deoxy-3-O-methyl-beta-D-galactopyranose-ME713783----
(6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol-ME713945----
(6E)-4,5,8-Trihydroxy-10-(2-hydroxypentyl)-3,3-dim...-ME71438456773907---
6-Ethyl-5-{3-[2-(trifluoromethyl)phenoxy]propoxy}-...-ME714125----
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid-ME714648----
6-hydroxypseudooxynicotine6-HydroxypseudooxynicotineME714863----
6-imino-5-oxocyclohexa-1,3-dienecarboxylic acid-ME714145----
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol-ME713513----
6-Methylquinoline6-MethylquinolineME7134867059---
6-Oxo-pipecolinic acid-ME713764----
6-Pentyl-2H-pyran-2-one-ME713996----
(6R)-5-Acetamido-4-O-acetyl-3,5-dideoxy-6-[(1R)-1,...-ME713841----
(6R,7S)-6,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]...-ME714688----
(6R,8Z)-6-Hydroxy-3-oxo-8-tetradecenoic acid-ME714806----
(6Z,10Z)-4,8-Dihydroxy-6,10-dimethyl-3-methylene-3...-ME714955----
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol-ME714466----
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,...-ME713613----
7,8-dihydroxykynurenic acid-ME714807----
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benz...-ME714118----
(7E,13Z)-3-Benzyl-6,12,15-trihydroxy-4,5,10,12-tet...-ME714912----
7-hydroxy-1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,...-ME714088----
7α-Hydroxy-3-oxo-4-cholen-24-oic acid-ME714226----
7-ketodeoxycholic acid7-Ketodeoxycholic acidME714208----
7-Methylguanine7-MethylguanineME71348311361C02242--
7-Octene-3,5-diyn-1-ol-ME713816----
8-(3-Heptyl-2-oxiranyl)-1-hydroxy-4,6-octadiyn-3-o...-ME713791----
(±)8(9)-EET8,9-EpETrEME714156----
8-Amino-7-oxononanoic acid8-Amino-7-oxononanoic acidME714058----
(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12...-ME71412423760128---
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol-ME714529----
8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol-ME714692----
(8E,10E,12S)-8,10-Heptadecadiene-4,6-diyne-1,12-di...-ME714867----
(8E)-10-Hydroxy-8-decenoic acid-ME713859----
(+/-)8-HEPE8-HEPEME71458516061128---
8-Hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacycl...-ME714821----
8-Hydroxy-5,6-octadienoic acid-ME714420----
8-Hydroxy-5,8a-dimethyl-3-methylene-3a,4,4a,7,8,8a...-ME714794----
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl acetate-ME713925----
(8S,9Z)-9-Heptadecene-4,6-diyne-1,8-diol-ME714450----
9,16-dihydroxy-6-(hydroxymethyl)-2,6,11-trimethyl-...-ME714113----
9-(alpha-D-glucosyl)dihydrozeatin-ME713778----
9-Anthroic acid-ME713557----
(9E)-9-Undecenal-ME714596----
9-fluoro-17?-oxa-dextro-homoandrosta-1,4-diene-3,1...-ME714685----
9-Hydroxy-10-undecenoic acid(S)-9-Hydroxy-10-undecenoic acidME714891----
9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.0Âa,â...-ME714841----
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1...-ME714861----
9-Oxo-10(E),12(E)-octadecadienoic acid-ME7144815283011---
9-Oxononanoic acid9-Oxo-nonanoic acidME713537----
AAMU-ME713709----
a-AspartylphenylalanineAsp-PheME714037----
AbacavirAbacavirME714598441300---
(Ac)2-L-Lys-D-Ala(Ac)2-L-Lys-D-AlaME714116----
AC4620000-ME714044----
AcadesineAICARME71415417513---
AceclidineAceclidineME714862----
AceglutamideN-Acetylglutamic acidME713555182230---
aceprometazine-ME71455726035---
AcetanilideN-AcetylarylamineME713821904C02558--
Acetanisole-ME7147147476---
acetophenazineAcetophenazineME71485717676C06807--
AcetylarginineN-AcetylarginineME713505102807---
Acetylhistamine-ME71460869602C05135--
Acetyl-L-methionineN-AcetylmethionineME713552448580C02712--
acetylserineO-AcetylserineME713645----
AdenineAdenineME713707190C00147--
AdenosineAdenosineME71349960961C00212--
Adenosine 3'5'-cyclic monophosphate-ME7136006076C00575--
Adenosine 5'-monophosphateAMPME7135626083C00020--
Adipic acidAdipic acidME713983196C06104--
adrenalineEpinephrineME714260----
AE1300200-ME714586----
afegostat-ME714501----
AL9450000-ME713540----
a-Lactose-ME713529----
ala-ileAla-IleME713698----
Alanylclavam-ME713811----
ALA-PROAla-ProME714115----
Ala-ThrAla-ThrME714192----
albutoin-ME713578----
AlizaprideAlizaprideME713984----
AllantoinAllantoinME713601----
allixin-ME714546----
Allyl (2Z)-3-phenylacrylate-ME714528----
.alpha.-Apocholic acid-ME714822----
(-)-(alpha)-Kainic Acid-ME714589----
alpha-Ketoglutaric acid2-Oxoglutaric acidME71412651C00026--
.ALPHA.-TOCOPHERONIC ACID-ME714707----
Alvameline-ME714053----
Aminohippuric acidAminohippuric acidME7135252148---
Aminolevulinic acidAminolevulinic acidME713855137C00430--
Amipylo-ME714515----
AmoxicillinAmoxicillinME71367833613C06827--
amtolmetin guacil-ME713880----
ANAGESTONE ACETATE-ME713966----
AnhalamineAnhalamineME714441----
Anibine-ME714418----
Anisindione-ME714996----
ANISURIC ACID-ME713867----
Anofinic acid-ME714312----
Anthranilic acid2-Aminobenzoic acidME713786227C00108--
Antiarol-ME714872----
anticapsin-ME713666----
ApocyninApocyninME7144072214C11380--
AprobarbitalAprobarbitalME7138346464C07826--
ARECOLINEArecolineME7143102230C10129--
Arg-proArg-ProME714376----
arg-serArg-SerME714541----
aromadendrinAromadendrinME714281----
ArtemetherArtemetherME714901----
(+/-)-Asarinol B-ME714119----
Asarone-ME714324----
ascopyrone M-ME713683----
asn-argAsn-ArgME714594----
asn-valAsn-ValME714637----
aspergillic acid-ME715012----
asp-leuAsp-LeuME713798----
Atagabalin-ME713842----
atractylenolide I-ME714894----
Atropaldehyde-ME714459----
(+)-Australine-ME713594----
Azelaic acidAzelaic acidME7150142266C08261--
Bacitracin A-ME71442810909430C15482--
b-Angelica lactone-ME713788----
BenzaldehydeBenzaldehydeME714172----
Benzenepentol-ME714250----
BenzocaineBenzocaineME7141112337---
Benzoxazolone2-BenzoxazololME713893----
Benzoyl-y-tropeine-ME714560----
Benzyl benzoateBenzyl BenzoateME714493----
Benzylformamide-ME71470480654C15561--
BenzylpenicillinPenicillin GME7145755904C05551--
BergeninBergeninME713853----
beta-Pyracin-ME713951----
Bethanidine-ME713760----
BiacetylDiacetylME713985650C00741--
Bicyclomycin-ME714375----
BiopterinBiopterinME7135972380C06313--
Biotin l-Sulfoxide-ME713653----
Bis(4-ethylbenzylidene)sorbitol-ME7139879866479---
BIS-FERULAMIDOBUTANE-ME714527----
Bis(methylbenzylidene)sorbitol-ME71359290474944---
Boc-Asn-ONp-ME713545----
BoschnialactoneBoschnialactoneME714186----
Brassylic acidTridecanedioic acidME714662----
Broussonin C-ME714078----
Bucillamine-ME713894----
BufexamacBufexamacME7144192466---
Buflomedil-ME7145142467---
Bufotalin-ME714666----
Bumadizone-ME714615----
butalbitalButalbitalME7148852481---
butoctamide-ME714055----
(+/-)-C75-ME7144534248455---
C8-HSL-ME714913----
CaprolactamEpsilon-caprolactamME7137847768C06593--
CapryloylglycineCapryloylglycineME71402084290---
CaptoprilCaptoprilME714200----
capuride-ME714787----
CarbendazimCarbendazimME71464525429C10897--
Carbofuran-ME7149162566C14291--
carisoprodolCarisoprodolME7149562576C07927--
(-)-carnegineCarnegineME714669----
cartazolate-ME714726----
casimiroedine-ME714805----
CatechinCatechinME714349----
Catramilast-ME714920----
CefazolinCefazolinME71418433255---
Cefuroxime axetil-ME714820----
Cepharadione A-ME714554----
ceronapril-ME714128----
Cervonoyl ethanolamideDihomo-gamma-linolenoyl-EAME714783----
Cilostazol-ME714699----
Cinchonan-9-ol-ME714657----
CinnamaldehydeCinnamaldehydeME714817637511C00903--
CinnamoylglycineCinnamoylglycineME714110709625---
cis-2-Carboxycyclohexyl-acetic acidcis-2-Carboxycyclohexyl-acetic acidME714233----
cis-3-(carboxyethyl)-3,5-cyclohexadiene-1,2-diol-ME714737----
cis-4-Hydroxycyclohexylacetic acidcis-4-Hydroxycyclohexylacetic acidME714530----
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dieneca...-ME714566----
cis-acetylacrylic acid-ME714076----
cis,trans-4-hydroxymuconic semialdehyde-ME714320----
Citric acidCitric acidME713502311C00158--
Cladinose-ME714659----
Clavamycin E-ME714370----
Clebopride-ME714969----
Clomazone-ME71370354778C11095--
coniferyl aldehydeConiferyl aldehydeME714591----
(+/-)-ConiineConiineME7148429985---
(-)-Corey lactone-ME7138612724453---
CorticosteroneCorticosteroneME7146565753C02140--
CortisolCortisolME7149705754C00735--
CortisoneCortisoneME714059222786C00762--
COSMENE-ME714254----
cotinine N-oxideCotinine N-oxideME714649----
CreatineCreatineME713574586C00300--
CreatinineCreatinineME713474588C00791--
Cromakalim-ME713877----
CrotanecineCrotanecineME713716----
Crotonic acidCrotonic acidME713924637090C01771--
CU8460000-ME71471320525---
Cunaniol-ME714921----
Cuprizon-ME714620----
cuscohygrineCuscohygrineME714709----
CY9070000-ME714698----
Cyanohydroxy buteneCyanohydroxybuteneME713514----
cyclobarbital-ME715021----
Cyclohexanecarboxylic acidCyclohexanecarboxylic acidME7140107413C09822--
CyclohexanoneCyclohexanoneME714559----
Cyclohexene oxide-ME714998----
cyclohexyl[4-(2-methoxyphenyl)piperidino]methanone-ME715011----
CyclohexylamineCyclohexylamineME7135117965C00571--
Cyclo(leucylleucine)-ME713831----
Cyclo(leucylprolyl)-ME714815102892---
CyclopamineCyclopamineME714769----
CyclopentanoneCyclopentanoneME714489----
CYCLO(-SER-TYR)-ME713737----
CYCLOTRIDECANOLIDE-ME714809----
Cyprodenate-ME713813----
cyproheptadine-ME7136762913C06935--
Cys-proCys-ProME714358----
CysteinylcysteineCys-CysME714177----
cystophorene-ME714828----
CytidineCytidineME7137246175C00475--
CytosineCytosineME713490597C00380--
dacisteine-ME714162----
DaidzeinDaidzeinME7141025281708C10208--
D-Amphetamine-ME7150085826C07884--
DecanamideDecanamideME71486075347---
DEETN,N-Diethyl-m-toluamideME7148704284C10935--
Deferiprone-ME713681----
Dehydronorketamine-ME713808162835---
DELTA-9-CIS-TETRAHYDROCANNABINOL, (-)--ME714979----
delta-guanidinovaleric acidDGVAME713587----
delta-Nonalactone-ME714934----
delta-Valerolactone5-ValerolactoneME713629----
deoxyhypusineDeoxyhypusineME714720----
D-ErythronolactoneErythrono-1,4-lactoneME713794----
D-Erythro-sphingosine 1-phosphateSphingosine 1-phosphateME7146025283560C06124--
DesthiobiotinDethiobiotinME713824643C01909--
DG8734020-ME71458712073---
D-gamma-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z,16Z)-1-ca...-ME714054----
DH2090000-ME71502210742C10833--
DIACETIN MONOPROPANOATE-ME714032----
DiaveridineDiaveridineME71441321453---
Dibenzylamine-ME7141947656---
Dibutyl malate-ME714439----
DiethanolamineDiethanolamineME713641----
Diethyl (2R,3R)-2-hydroxy-3-methylsuccinate-ME714697----
Diethylene glycolDiethylene glycolME713539----
Diethyleneglycol diacetate-ME714443----
Diethyl malonate-ME7138687761---
DigitoxoseDigitoxoseME713960----
dihomomethionineDihomomethionineME714618----
Dihydrokavain-ME714773----
dihydropyranone-ME713994----
DihydrothymineDihydrothymineME71438293556C00906--
DihydrouracilDihydrouracilME713931----
Dihydrouridine5,6-DihydrouridineME713809----
Dihyroxy-1H-indole glucuronide I-ME713671----
(Dimethylamino)acetaldehyde-ME714316----
Dimethyl octanediimidate-ME714853----
Dimetridazole-ME7144303090---
Dinobuton-ME714759----
dioncophylline C-ME715028----
DipivefrinDipivefrinME714719----
Dipropylene glycol-ME71449032857---
Dipropylene glycol dimethyl ether-ME713477----
DL-2,6-Diaminopimelic acid-ME714212865---
DL-a-Aminocaprylic acid-ME714558----
D-Lactose monohydrate-ME713480----
DL-Ala-DL-Phe-ME714106----
DL-Carbidopa-ME713561----
DL-Cerulenin-ME714228----
DL-Citrulline-ME7136069750C00327--
DL-Glutamic acidGlutamic acidME714243----
DL-GlutamineGlutamineME714147738C00303--
DL-HistidineHistidineME714567----
DL-HomocysteineHomocysteineME713956778C05330--
DLK-ME713891----
DL-LysineLysineME713690866C16440--
DL-Mevalonic acid-ME713780449---
DL-PhenylalaninePhenylalanineME714021----
DL-TryptophanTryptophanME7134911148C00806--
DL-TYROSINETyrosineME714060----
D-lysopine-ME714014----
Docosahexaenoic acid ethyl ester-ME7146729831416C16185--
Dolichotheline-ME714728----
dopamineDopamineME714105681C03758--
DopamineDopamineME713832681C03758--
D-PANTOTHENIC ACIDPantothenic acidME7134956613C00864--
D-(+)-Pipecolinic acidPipecolic acidME713689736316---
DPK-ME714813----
D-(+)-ProlineD-ProlineME7143088988C00763--
D-(+)-Pyroglutamic Acid-ME713981439685C02237--
D-RaffinoseRaffinoseME713896439242C00492--
Droxidopa-ME713677----
DSF-ME714962----
D-SphingosineSphingosineME7139335280335---
d-Valerolactam-ME713662----
(E)-2-Butenyl-4-methyl-threonine2-Butenyl-4-methylthreonineME714599----
(E)-2-Decene-4,6,8-triyn-1-ol-ME714368----
(E)-6-(methylsulfanyl)hexanal oxime-ME714961----
(E)-Aconitic Acid-ME713702444212C02341--
ecgonone methyl ester-ME713854----
Edoxudine-ME713643----
EJ4025000-ME71379313542C19277--
EL9600000-ME714785----
ELK-ME714958----
Eluxadoline-ME714682----
EnicoflavineEnicoflavineME714050----
(E)-p-coumaric acid-ME713533637542C00811--
EPH-ME714207----
EpitestosteroneEpitestosteroneME71494810204---
epi-Tulipinolide-ME714839----
epsilon-Caprolactone-ME71354310401---
(±)-EquolEquolME714739382975---
Erbstatin Analog-ME714897----
Ergine-ME713863----
Ethanal tetramer-ME714307----
EthinylestradiolEthinyl estradiolME7148755991C07534--
EthosuximideEthosuximideME714063----
Ethyl 2-methyl-3,4-pentadienoate-ME714394----
Ethyl 3-hydroxybutyrate-ME71365762572---
Ethyl-3-thiopropionate-ME714755----
ethylbenzoateEthyl benzoateME7148147165---
Ethyl furfurylacetate-ME714555----
Ethyl lactate-ME713718----
Ethyl methylphenylglycidate-ME714038----
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]...-ME714764----
EthylparabenEthylparabenME7146648434---
Etretinate-ME714980----
Eucalyptol1,8-CineolME7148662758---
eucommiol-ME714253----
EUROPINE-ME714593----
ExemestaneExemestaneME71462360198C08162--
fagaramideFagaramideME713998----
FasoracetamFasoracetamME714486----
FG7175000-ME7143176038C06338--
flamenol-ME714792----
Flavin mononucleotideFMNME714976643976C00061--
FlossonolFlossonolME714758----
fMetN-FormylmethionineME714922439750C03145--
Folic acidFolic acidME7147256037C00504--
folinic acidN5-Formyl-THFME714941143C03479--
Formiminoglutamic AcidFormiminoglutamic acidME714132----
Formyl-5-hydroxykynurenamineFormyl-5-hydroxykynurenamineME714386----
Formylanthranilic acidFormylanthranilic acidME714944----
FormylkynurenineN-Formyl-L-kynurenineME714753----
FructoselysineFructosyllysineME714381----
FuraneolFuraneolME714518----
Furfuranol-ME714886----
Ga-ME714601----
GabapentinGabapentinME7139363446---
Gabexate-ME714313----
g-Aminobutyryl-lysine-ME714385----
gamma-Aminobutyric acidgamma-Aminobutyric acidME713591119C00334--
gamma-Glutamyl-3-[(1E)-1-propen-1-ylsulfinyl]alani...-ME714139----
gamma-Glutamyl-S-allylcysteine-ME713875----
gamma-Heptalactone-ME714429----
GenisteinGenisteinME7144765280961C06563--
Gingerdione-ME714135----
GinkgotoxinGinkgotoxinME713968----
gln-lysGln-LysME714218----
gln-pheGln-PheME713844----
Glucose 1-phosphateGlucose 1-phosphateME71438865533C11450--
glu-leuGlu-LeuME713520----
glutaralGlutaralME713726----
Glutaric acidGlutaric acidME713914743C00489--
glutethimide-ME7141953487C07489--
Glycerol 5-hydroxydecanoate-ME714333----
Glycerophospho-N-palmitoyl ethanolamineGlycerophospho-N-palmitoyl ethanolamineME71487353393933---
Glycidyl methacrylate-ME7138287837---
GlyciteinGlyciteinME7148365317750C14536--
GlycocyamineGuanidoacetic acidME713825763C00581--
GlycylglutamineGly-GlnME714325----
Glycyl-L-asparaginyl-D-leucine-ME714315----
Gly-HisGly-HisME714272----
Gly-LeuGly-LeuME71407992843C02155--
Gly-LysGly-LysME713849----
Gly-PheGly-PheME714633----
Gly-thrGly-ThrME714197----
GNH-ME714716----
GuaiacolGuaiacolME714342460C01502--
GuaifenesinGuaifenesinME7137223516---
Guaifenesin Metabolite-ME714607----
GuanineGuanineME714031764C00242--
Harmalane-ME714395----
HarmalolHarmalolME713770----
HC Blue 1-ME714622----
HC blue 2-ME714458----
H-DL-MET-DL-MET-OH-ME714338----
Heptadec-1,7,9-trien-11,13,15-triyne-ME714766----
heptaminol-ME7142763590---
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...-ME714242----
HexanalCaproaldehydeME713610----
Hexyl 2-furoate-ME714754----
HexylamineHexylamineME713897----
Hexyl Isothiocyanate-ME715026----
Hexylresorcinol-ME7142113610---
HIAA-ME7138291826C05635--
Hippuric acidHippuric acidME713479464C01586--
His-proHis-ProME713776----
HistamineHistamineME713750774C00388--
histidinolL-HistidinolME713538----
HistidylglycineHis-GlyME714398----
his-valHis-ValME714266----
HMBA-ME715019----
HomocitrullineHomocitrullineME713942----
Homoisovanillic acid-ME714899160562---
Homo-L-arginineHomoarginineME713757----
Hopantenic acid-ME713822----
Hydroconiferyl Alcohol-ME713922----
Hydroferulic acidDihydroferulic acidME714811----
Hydroxy-1,4-benzoquinone-ME714880----
Hydroxyamphetamine-ME7148783651---
Hydroxycitronellal diethyl acetal-ME714516----
(Hydroxyethyl)methacrylate-ME713921----
Hydroxylysine5-HydroxylysineME713944----
HydroxyprogesteroneHydroxyprogesteroneME7148986238C01176--
Hydroxytyrosol-ME713883----
hymecromone-ME7150025280567C03081--
HypoxanthineHypoxanthineME713546790C00262--
β-Methyl-γ-decalactone-ME714643----
IBMX-ME7142163758C13708--
ibufenac-ME714256----
Ichthyotherol-ME714314----
Idanpramine-ME714799----
ile-pheIle-PheME713685----
ILK-ME714968----
ilomastat-ME714780----
Imagabalin-ME714467----
Imidazol-4-one-5-propionic acid4-Imidazolone-5-propionic acidME713611----
Imidazoleacetic acidImidazoleacetic acidME71391696215C02835--
IN00105-ME71376610666C01526--
IN00260-ME713763----
α-N-AcetylcitrullineN-AcetylcitrullineME713719----
Indirubin-ME7149755318433---
indol-2-one-ME713717----
Indole-3-acetic acidIndoleacetic acidME713559802C00954--
Indole-3-acetic-acid-O-glucuronide-ME714616----
Indole-3-acryloylglycine-ME713902----
Indole-3-glyoxal-ME714539----
Indole-3-lactic acidIndole-3-lactic acidME71390992904C02043--
INDOLEACETYL GLUTAMIC ACID-ME714627----
indoline-2-carboxylic acid-ME714612----
Indomethacin Related Compound A-ME715016----
indospicineIndospicineME713635----
Indoxyl-ß-D-glucuronide-ME714089----
InosineInosineME7135416021C00294--
Inspra-ME714745443872---
Iprofenin-ME714391----
Isobornyl methacrylate-ME71465824153---
Isobutyric acidIsobutyric acidME7136336590C02632--
isometheptene-ME715020----
isonixin-ME714259----
(-)-isopiperitenone-ME714247----
Isoprenaline-ME7134983779C07056--
Isopropyl beta-D-galactopyranoside-ME713930----
Isopropyl catecholIsopropylcatecholME714263----
Isopropyl methoxy pyrazine-ME715023----
Isoproturon-ME71407136679C11005--
IsoputreanineIsoputreanineME713762----
Isotretinoin-ME7144635282379---
Isovalerylglutamic acid-ME713579----
ISOXYL-ME71391841648C18432--
Istamycin C1-ME713881----
JUVENILE HORMONE II-ME714345----
Kanosamine-ME713551164683---
KetamineKetamineME7138033821---
Kynurenic acidKynurenic acidME7134853845C01717--
KynurenineKynurenineME714644----
L-3-hydroxykynurenineHydroxykynurenineME714477----
L-3-nitrotyrosine-ME713846----
LactaroviolinLactaroviolinME714951----
Lagochilin-ME7149267061097---
L-Alanyl-3-{[(3-carbamoyl-2-oxiranyl)carbonyl]amin...-ME713851----
L-Alanyl-L-glutamineAla-GlnME714786----
L-allysine-ME714099----
LapacholLapacholME715013-C10366--
L-(+)-ArginineArginineME7142896322C00062--
LathodoratinLathodoratinME714562----
L-Cladinpyranose-ME714363----
L-coprineCoprineME714220----
L-Cysteinylglycine disulfideCysteinylglycine disulfideME714736----
L-decyline-ME715024----
lentiginosineLentiginosineME714026----
Leonurine-ME714752----
L-EthionineL-EthionineME714804----
leucyl-4-hydroxyproline-ME713848----
LeucylasparagineLeu-AsnME714155----
LeucylprolineLeu-ProME7135283977067---
LeucyltryptophanLeu-TrpME713806----
LeucyltyrosineLeu-TyrME714231----
Leu-Gly-ProLeu-Gly-ProME714628----
Leu-LeuLeu-LeuME714305----
Leu-proLeu-ProME714923----
LevetiracetamLevetiracetamME7142705284583---
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME713785----
L-Glutamic acidGlutamic acidME71362833032C00025--
L-Glutaminyl-L-LeucineGln-LeuME713585----
L-Glutathione oxidizedGlutathioneME71374965359C00127--
L-Glutathione (reduced)GlutathioneME713779124886C00051--
L-HistidineHistidineME7143726274C00135--
libenzapril-ME714810----
lidamidine-ME714580----
LinamarinLinamarinME714273----
Lindenenone-ME714859----
LipoamideLipoamideME714229----
liquiritigeninLiquiritigeninME7148791889---
Lisofylline-ME714180----
L-IsoleucineIsoleucineME7135096306C00407--
L-KynurenineKynurenineME713672161166C00328--
L-(-)-MethionineMethionineME7134766137C00073--
LN-ME7145379800166---
LNK-ME713575----
L-(+)-norleucineNorleucineME71384521236C01933--
LophocerineLophocerineME714521----
LotaustralinLotaustralinME713743----
L-PhenylalaninePhenylalanineME7134816140C00079--
L-ProlinamideMethionine (S)-S-oxideME713705----
L-Pyroglutamic acidPyroglutamic acidME7145137405C01879--
LQ1825000-ME713599----
LT9970000-ME71475143359C18912--
L-TheanineN(5)-Ethyl-glutamineME713765----
L-(-)-ThreonineThreonineME7138846288C00188--
L-topaquinone-ME714646----
L-TyrosineTyrosineME7135326057C00082--
LU3453000-ME713856----
LunarineLunarineME714030----
(-)-LupinineLupinineME714983----
lycopsamineLycopsamineME714909----
lys-leuLys-LeuME714727----
Lys-ProLys-ProME713549----
lys-thrLys-ThrME714545----
MA4000000-ME714360----
Macelignan-ME71411413844304---
MaculosinCyclo(Pro-Tyr)ME714408----
Mansonone C-ME714097----
Maraniol-ME714446----
Matairesinol-ME714647119205C10682--
mebutamate-ME7139646151---
mefexamide-ME714972----
Meglutol3-Hydroxymethylglutaric acidME7135861662C03761--
MelezitoseMelezitoseME71363292817C08243--
mephenesin-ME714109----
meprobamateMeprobamateME7142384064---
MesalazineMesalazineME7148444075---
Meseclazone-ME714416----
MetalaxylMetalaxylME71364242586C10947--
(+/-)-MetanephrineL-MetanephrineME71406921100C05588--
met-argMet-ArgME714188----
MetaxaloneMetaxaloneME71399015459C07934--
Methantheline-ME714491----
methaphenileneMethaphenileneME714639----
metharbitalMetharbitalME7141234099---
Methionyl-4-hydroxyproline-ME715001----
MethoxamineMethoxamineME714091----
methoxyresorcinolMethoxyresorcinolME714178121805---
Methyl 11-(6-oxabicyclo[3.1.0]hex-2-yl)undecanoate-ME714849----
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate-ME713735428827---
Methyl 2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-ace...-ME713577----
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2...-ME713982----
Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate-ME714977----
Methyl (3,5-dihydroxy-2-oxo-2,3-dihydro-1H-indol-3...-ME714400----
methyl 3,5-ditert-butyl-4-hydroxybenzoate-ME71447875639---
Methyl (3aR,5Z,9E,11aS)-10-methyl-3-methylene-2-ox...-ME714556----
Methyl 3-hydroxyhexanoate-ME714261----
Methyl 5-(hydroxymethyl)-3-pyrrolidinecarboxylate-ME713840----
Methyl 9-oxononanoate-ME714845----
Methyl alpha-aspartylphenylalaninate-ME714701----
Methyl bisnorbiotinyl ketone-ME714087----
Methylimidazoleacetic acidMethylimidazoleacetic acidME71376175810C05828--
Methylone-ME71395345789647C20126--
Methyl O-sulfo-L-tyrosinate-ME714300----
Methylphenobarbital-ME7148018271C07829--
Methyl tyrosinateMethyl tyrosinateME71444270652C03404--
methyprylonMethyprylonME7145244162---
METIPRANOLOLMetipranololME714771----
met-proMet-ProME713819----
MetronidazoleMetronidazoleME7142924173---
MevalonolactoneMevalonolactoneME71366310428---
MFCD00025555-ME713659----
MFCD00046108-ME714520----
MFCD00048696-ME714935----
MFCD00053704-ME714149----
MFCD00055957-ME714793----
MFCD00056023-ME714829----
MFCD00065806-ME713912----
MFCD00066435-ME713857----
MFCD00130070-ME714840----
MFCD00272697-ME714217----
MFCD01182773-ME714892----
MFCD01318772-ME714297----
MFCD02728197-ME714341----
MFCD07778083-ME714696----
MFCD08277025-ME714191----
MFCD10024834-ME713684122356C02714--
MFCD27967839-ME7149305316932---
MI5550000-ME714730----
miglustat-ME714173----
milipertine-ME714531----
ML-236CML 236CME714757----
Monobutyl phthalateMonobutylphthalateME7144968575---
Monoethyl malonic acidMonoethyl malonic acidME71379270615---
Monomethyl adipate-ME714067----
moroxydine-ME714240----
Mucronine BMucronine BME714965----
Myrmicacin-ME71420126612---
N1-(2-amino-2-oxoethyl)-2-phenoxyacetamide-ME714871----
N~1~-(5-Aminopentyl)-N~2~-(1H-indol-3-ylacetyl)-L-...-ME714461----
N(1)-acetylspermidineN1-AcetylspermidineME714293----
N-(1H-Indol-3-ylcarbonyl)glycine-ME714457----
N-(1H-Pyrrol-2-ylcarbonyl)glycine-ME713789----
N-[(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl]-2...-ME714642----
N-[(1S)-1-Carboxy-2-methylpropyl]-D-glutamic acid-ME714209----
N-(2,3,4-Trimethoxybenzoyl)glycine-ME714933----
N-[2-(4,6-Dihydroxy-5-methoxy-1H-indol-3-yl)ethyl]...-ME714630----
N-(2,4-Dihydroxy-5-methoxybenzoyl)glycine-ME714693----
N-(2,6-Diaminohexanoyl)glutamine-ME714258----
N-(2-Acetylphenyl)formamide-ME714570----
N~2~-(Carboxymethyl)arginine-ME714084----
N2-DimethylguanosineN2,N2-DimethylguanosineME713626----
N-(2-Methoxybenzoyl)glycine-ME714090----
N-[(2S)-2-Hydroxypropanoyl]-L-leucine-ME714140----
N-[(2S)-2-Hydroxypropanoyl]-L-tryptophan-ME714668----
N-[(2S)-2-Hydroxypropanoyl]methionine-ME713801----
N(2)-succinyl-L-glutamic acid-ME714832----
N2-Succinyl-L-glutamic acid 5-semialdehyde-ME714214----
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide-ME713730----
N-(3-acetamidopropyl)pyrrolidin-2-oneAcisogaME714584----
N-(3-Aminopropyl)-3-(3,4-dihydroxyphenyl)propanami...-ME714893----
N-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]...-ME714526----
N-(3-Carboxypropanoyl)-5-hydroxynorvaline-ME714577----
N-(3-Carboxypropyl)glutamine-ME713799----
N-[(3E)-3-Nonenoyl]glycine-ME714347----
N-[(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-...-ME71492433649---
N-(3-Hydroxy-4-methoxybenzoyl)glycine-ME714246----
N-(3-Hydroxyhexanoyl)glycine-ME714340----
N-(3-Methoxybenzoyl)glycine-ME714210----
N3,N4-Dimethyl-L-arginine-ME713637----
N-[(3S,3aS,8S,9S,9aS,9bS)-3,5a,9-Trimethyl-2-oxodo...-ME71428328962512---
N4-AcetylcytidineN4-AcetylcytidineME713558----
N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-2-o...-ME714357----
N-4-hydroxyphenylacetylglutamic acid-ME714393----
N-(4-Methoxybenzyl)-3-{[5-(2-methyl-2-propanyl)-1,...-ME71401256775453---
N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]p...-ME714171----
N-(4-Oxobutyl)-L-glutaminegamma-Glutamyl-gamma-aminobutyraldehydeME714744----
N5-(4-chlorobenzoyl)-4-methyl-4,5,6,7-tetrahydroth...-ME714369----
N-[(5E)-2-Hydroxy-5-octenoyl]glycine-ME714257----
N-[(5E)-5-Nonenoyl]glycine-ME714290----
N-[(5-Hydroxy-1H-indol-3-yl)acetyl]glycine-ME714052----
N-[(5S)-5-Amino-5-carboxypentanoyl]cysteinyl-D-val...-ME714445----
N6-(2-(1H-imidazol-4-yl)ethyl)lysine-ME714999----
N~6~-Acetyl-5-hydroxylysine-ME714203----
N6-Dimethyladenosine-ME714680----
N6-Me-AdenosineN6-MethyladenosineME7135121869---
N~6~,N~6~-DimethyllysineN(6),N(6)-Dimethyl-lysineME714632----
N6-threonylcarbamoyladenosineN6-Carbamoyl-L-threonyladenosineME713581----
N8-AcetylspermidineN8-AcetylspermidineME713646123689C01029--
Na-{[(2R)-1-(4-morpholinylcarbonyl)-2-piperazinyl]...-ME714348----
N-Acetyl-5-aminosalicylic acid-ME71435165512---
N-Acetyl-6-oxo-L-norleucine-ME713614----
N-acetyl-9-O-acetylneuraminic acid-ME714522----
N-Acetyl-ala-ala-ala-methylester-ME713892----
N-Acetyl-D-quinovosamine-ME714262----
N-AcetylhistamineN-AcetylhistamineME71355469602C05135--
N-Acetylimidoquinone-ME713656----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME71421565065C01042--
N-Acetyl-L-carnosineN-AcetylcarnosineME713596----
N-Acetyl-L-cysteineN-AcetylcysteineME71460012035---
N-AcetylleucylleucineN-Acetyl-leucyl-leucineME714379----
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME71420670914C00624--
N-Acetyl-L-histidineN-AcetylhistidineME713660----
N-acetyl-LL-2,6-diaminopimelic acid-ME713618----
N-Acetyl-L-leucineN-AcetylleucineME71352170912C02710--
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME71474774839C03519--
N-Acetyl-L-tyrosineN-AcetyltyrosineME71429968310---
N-acetyl-N-hydroxy-L-ornithine-ME713531----
N-Acetylnorvaline-ME713527306106---
N-Acetyl-S-2-hydroxyethyl-L-cysteineN-Acetyl-S- (2-hydroxyethyl)-cysteineME713650----
N-AcetylserotoninN-AcetylserotoninME714653903C00978--
N-Acetyl-serotonin glucuronideN-Acetylserotonin glucuronideME713920----
N-Acetyl-Trp-OH-ME714362----
N-Acetyltyramine-ME713547121051---
N-AcetylvalineN-AcetylvalineME713530227752---
N-AcetylvanilalanineN-AcetylvanilalanineME714417----
N-adenylyl-L-phenylalanineN-Adenylyl-L-phenylalanineME714681----
NadololNadololME71381739147---
NaltrexoneNaltrexoneME7147225360515C07253--
N-Amidino-L-glutamatealpha-Guanidinoglutaric acidME713873----
n-Amylbenzene-ME714663----
NandroloneNandroloneME7147359904---
napropamide-M-ME71449527189C18868--
NaringeninNaringeninME714906932---
N-(Carboxyacetyl)phenylalanine-ME713838----
N-(Carboxymethyl)norleucine-ME714144----
Ne-AcetyllysineN6-AcetyllysineME71378792832C02727--
nequinateNequinateME714213----
N-glycoloyl-D-mannosaminolactone-ME713860----
N-Glycolylneuraminic acidN-Glycolylneuraminic acidME714049123802---
n-heptanoic acidHeptylic acidME7137448094C17714--
n-Hexanamide-ME713697----
N-Hexanoyl-1-(2,3,4,5,6-pentahydroxycyclohexyl)try...-ME714889----
N-Hydroxy-8-(methylsulfanyl)octanethioamide-ME714081----
NI3400000-ME713928----
nicotianamine(R,S,S)-NicotianamineME713970----
NicotinamideNiacinamideME713569936C00153--
Nicotinic acidNicotinic acidME713701938C00253--
Nicotinuric acidNicotinuric acidME71349468499C05380--
N-(indol-3-ylacetyl)glutamine-ME714086----
NitrendipineNitrendipineME7149144507C07713--
nitrilotriacetic acidNitrilotriacetic acidME7144848758C14695--
Nitrosoguvacoline-ME713905----
NJ5000000-ME713670----
NL8513000-ME714690----
N-Methylcaprolactam-ME71448317369---
N-Methylglutamine-ME713901----
N-MethylhexanamideN-Methyl hexanamideME714122----
N-Methylhistamine1-MethylhistamineME713655912---
N-Methylmescaline-ME713999----
N-Methylpyrrolidone-ME71394113387C11118--
N,N-Bis(2-hydroxyethyl)dodecanamideLauroyl diethanolamideME714834----
N,N'-Di(2,3-butadien-1-yl)-1,4-butanediamine-ME714224----
N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxi...-ME714838----
N,N-Diethylethanolamine-ME7135077497---
N,N'-Diethylthiourea-ME713627----
N,N-Diisopropylethylamine (DIPEA)-ME71394381531---
N,N-dimethylarginineDimethylarginineME714120----
N,N-DimethylglycineDimethylglycineME713604673C01026--
N-NonanoylglycineN-NonanoylglycineME714740----
Nopaline-ME713979----
noradrenalineXi-NorepinephrineME714469----
Nordefrin-ME714007----
norketamine-ME713550123767---
NP-000124-ME714176----
NP-001346-ME713738----
NP-001445-ME714812----
NP-001501-ME714782----
NP-002854-ME714471----
NP-002855-ME714337----
NP-003399-ME714129----
NP-003459-ME714221----
NP-003672-ME713980----
NP-004036-ME714660----
NP-004038-ME714679----
NP-005397-ME714534----
NP-005519-ME714509----
NP-005982-ME714204----
NP-006656-ME714465----
NP-006862-ME714148----
NP-007065-ME714551----
NP-008095-ME714425----
NP-008952-ME714582----
NP-008993-ME714827----
NP-011220-ME714579----
NP-011223-ME714249----
NP-011878-ME714426----
NP-013210-ME714775----
NP-013538-ME714255----
NP-013663-ME714077----
NP-014175-ME714818----
NP-014287-ME714321----
NP-016101-ME714164----
NP-016455-ME713699----
NP-016714-ME714689----
NP-017061-ME714874----
NP-017379-ME715025----
NP-018348-ME714890----
NP-018661-ME713810----
NP-019360-ME714093----
NP-019374-ME713609----
NP-019722-ME713971----
NP-019811-ME713992----
NP-020014-ME714374----
NP-020082-ME713775----
NP-020155-ME713972----
NP-020214-ME714847----
NP-020515-ME714449----
NP-020632-ME714960----
NP-021018-ME714303----
NP-021844-ME714581----
NP-022531-ME714326----
N-Pentacosanoylglycine-ME714695----
N-pentylpantothenamide-ME714729----
N-Phenylacetylglutamic acidN-Phenylacetylglutamic acidME714354----
N-Phenylacetylglutamine-ME71362492258C04148--
N-Phenyl-beta-D-glucopyranosylamine-ME714434----
N-PropanoylimidazoleN-PropanoylimidazoleME714301----
N-Propionylmethionine-ME714435----
n-RibosylhistidineN-RibosylhistidineME714131----
NS1800000-ME7139036723C00847--
N-StearoyltyrosineN-Stearoyl tyrosineME713772----
N-Sulfanilyl-3,4-xylamide-ME714918----
N(tau)-Methyl-L-histidine-ME713544----
N-(tert-Butoxycarbonyl)-L-leucine-ME713488----
nylon cyclic dimer-ME714519----
ObliquineObliquineME714927----
octadieneOctadieneME714613----
ophthalmic acidOphthalmic acidME714595----
ornithinoalanine-ME713503----
OstholOstholeME71408210228C09280--
ostruthinOstruthinME7145975281420C09281--
OtonecineOtonecineME713658----
Oxaceprol-ME714230----
Oxalosuccinic acidOxalosuccinic acidME714073----
oxamniquineOxamniquineME713781----
Oxepanone-ME71367910401---
OxindoleIndolin-2-oneME714789321710C12312--
Oxohongdenafil-ME71447492135826---
Palmitoleic acidPalmitoleic acidME714563445638C08362--
PanthenolPantothenolME7145114678---
Panthenyl ethyl ether-ME713639----
Paprazine-ME7146295372945---
ParacetamolAcetaminophenME7139861983---
p-Benzoquinone, methoxy-ME714966----
PEG-4-ME713774----
PEG n10-ME71400179689---
PEG n11-ME71428581260---
PEG n12-ME71433081248---
PEG n13-ME71477987168---
PEG n6-ME71371417472---
PEG n7-ME71366579718---
PEG n8-ME71369678798---
Pelubiprofen-ME714945----
PENICILLIC ACID-ME714005----
pentabamate-ME714009----
Pentifylline-ME713755----
pentobarbitalPentobarbitalME7148314737---
pentoxyl-ME713694----
Perazine-ME7145434744---
perlolyrinePerlolyrineME713872----
phe-asnPhe-AsnME714705----
phe-aspPhe-AspME714108----
phe-cysPhe-CysME714854----
phe-lysPhe-LysME713823----
phenacemide-ME713669----
PhenethylaminePhenylethylamineME7136341001C05332--
Pheneturide-ME714344----
Phenothrin-ME7149854767C14387--
PhenylacetylglycinePhenylacetylglycineME71347568144C05598--
PHENYLBUTYRIC ACIDPhenylbutyric acidME7143234775---
Phenylisocyanate-ME713576----
phenylpropiolic acidPhenylpropiolic acidME714460----
PhenytoinPhenytoinME713973----
Phosphoric acidPhosphoric acidME713727----
Phthaldialdehyde-ME7149044807---
Phthalic acidPhthalic acidME7137541017C01606--
p-Hydroxybenzalacetone-ME714366----
PhytosphingosinePhytosphingosineME714447122121C12144--
PiceidPiceidME714823----
PicolinamidePicolinamideME713602----
Picolinic acidPicolinic acidME7141611018C10164--
pilocarpidine-ME714652----
Pinocembrin-ME713833238782---
Pipecolic acidPipecolic acidME713489849---
PiperidionePiperidioneME714641----
Piperonylonitrile-ME71435578136---
PiracetamPiracetamME7136254843---
PivagabinePivagabineME714241----
PIVOPRIL-ME714174----
PlantamajosidePlantamajosideME714675----
PleuromutilinPleuromutilinME714843----
PLH-ME714569----
porfiromycin-ME714852----
Portulacaxanthin IIIPortulacaxanthin IIIME713908----
PPG n4-ME71471291234---
PPK-ME714788----
Pramiracetam-ME714432----
PregabalinPregabalinME7147635486971---
Prenisteine-ME714943----
pretyrosineArogenic acidME714352----
pro-asnPro-AsnME714405----
Proclavaminic acidProclavaminic acidME713974----
pro-glnPro-GlnME714287----
Pro-Hyp-ME713617----
ProlylglycinePro-GlyME7135826426709---
ProlylleucinePro-LeuME713563444109---
pro-phePro-PheME713534----
Pro-ProPro-ProME713715----
PropylparabenPropylparabenME7144557175---
pro-trpPro-TrpME713612----
Pro-tyrPro-TyrME713508----
Proxyphylline-ME713729----
Prunin-ME71430992794C09099--
Pseudoconhydrine-ME715018----
Purinol-ME714542----
PutrescinePutrescineME7138641045C02896--
PyridoxalPyridoxalME7139651050C00250--
PYRIDOXAMINEPyridoxamineME7145921052C00534--
PyridoxinePyridoxineME7135701054C00314--
Pyroglutamic acidPyroglutamic acidME714153----
pyroglutaminePyroglutamineME713997----
pyroglutamylglycine-ME713686----
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME71431812473C05942--
QLH-ME714365----
QuinaprilatQuinaprilatME714907----
quinbolone-ME714244----
Quinolacetic acid-ME714797----
Quinolinic acidQuinolinic acidME7141521066C03722--
QV1MVO1R-ME713542----
Resacetophenone2',4'-DihydroxyacetophenoneME714311----
Resorcinol diglycidyl ether-ME7147497586C19228--
RG5927903-ME714884----
RG7900000-ME714525----
RI2735000-ME714028----
(+)-RiboflavinRiboflavinME713814----
riboprine-ME714741----
RilmenidineRilmenidineME71448268712C11120--
Ritodrine-ME71491033572C07239--
(R)-(+)-Kavain-ME713866----
RLK-ME714104----
Ro 20-1724-ME714540----
(R)-Salsolinol(R)-SalsolinolME71404554456---
R-Soterenol-ME714723----
S-3-oxodecanoyl cysteamine-ME714040----
S-AdenosylhomocysteineS-AdenosylhomocysteineME713797439155C00021--
Sakuranetin-ME714472348130---
SalbutamolSalbutamolME7149952083---
Salicylaldoxime-ME713899----
Salicylic acidSalicylic acidME714322338C00805--
(-)-salinosporamide A-ME714661----
(+)-SaxitoxinSaxitoxinME71458837165---
S-Benzyl-D-cysteine-ME714334----
Sebacic acidSebacic acidME7138005192C08277--
SECONAL-ME7140475193---
Sedanolide-ME7140435018391---
Senkyunolide A-ME714437----
senkyunolide B-ME714939----
SepiapterinSepiapterinME71419365253C00835--
(S)-Equol-ME71470691469C14131--
ser-glnSer-GlnME714993----
SerotoninSerotoninME7135355202C00780--
ser-trpSer-TrpME714683----
Seryl-4-hydroxyproline-ME713962----
SeryllysineSer-LysME713940----
(-)-Shikimic acidShikimic acidME714667----
Shogaol-ME7144065281794C10494--
S-methyl D-thioglycerate-ME713937----
S-methylglutathioneS-MethylglutathioneME714500----
Sodium [dodecanoyl(methyl)amino]acetate-ME714868----
SOLERONE-ME714094----
SorbaldehydeSorbaldehydeME714952----
Sorbic acidSorbic acidME714397643460---
Spermic acid-ME714399----
spermidineSpermidineME7138041102C00315--
sphinganineSphinganineME71462491486C00836--
spinacine-ME714703----
ß,ß-Dimethyl-?-methylene-?-butyrolactone-ME714025----
Stearidonic acidStearidonic acidME714835----
StreptamineStreptamineME714015----
StyreneStyreneME714574----
Suberic acidSuberic acidME71440110457C08278--
Succinic anhydrideSuccinic anhydrideME713888----
SuccinylacetoneSuccinylacetoneME713923----
SuccinyladenosineSuccinyladenosineME713572----
Sulcatol(R)-SulcatolME71369120745C07288--
Sulfacytine-ME714462----
Sulfurol propionate-ME714781----
Supinine-ME714064----
SyringaldehydeSYRINGALDEHYDEME714590----
(+)-syringaresinol-ME714383443023C10889--
Talarozole-ME714732----
TaurineTaurineME7136731123C00245--
Taurocholic acidTaurocholic acidME7140026675---
TauropineTauropineME714294----
TaxifolinTaxifolinME714711439533C01617--
Tazanolast-ME714018----
TCMDC-131928-ME714494----
TCMDC-132036-ME714932----
TegaserodTegaserodME714219----
Teneligliptin-ME714938----
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carb...-ME7139382818159---
testolic acidTestolic acidME714746----
TestosteroneTestosteroneME7149896013C00535--
TetraacetylethylenediamineTetraacetylethylenediamineME714138----
(+/-)-Tetrabenazine-ME714777----
tetrahomomethionineTetrahomomethionineME714473----
tetrahydro-2,5-dimethyl-2H-pyranmethanol-ME714234----
Tetrahydro-5-oxo-2-furanacetic acid-ME713607----
tetrahydrocortisolTetrahydrocortisolME714686----
TetrahydrocortisoneTetrahydrocortisoneME7145655866C05470--
Tetrahydrogestrinone-ME7148776857686---
TetralinTetralinME714271----
Tetramethylpyrazine-ME71389814296---
Tetramethylurea-ME713556----
Tetranor-PGDMTetranor-PGDMME71426844600448---
TheobromineTheobromineME7141795429C07480--
Thiacremonone-ME713929----
ThiethylperazineThiethylperazineME7147085440C07132--
ThiorphanThiorphanME713566----
ThreonylleucineThr-LeuME715027----
thr-ileThr-IleME714830----
thr-proThr-ProME714072----
THTA2-Tetrahydrothiopheneacetic acidME713768----
ThymidineThymidineME7136935789C00214--
ThymineThymineME7135981135C00178--
Timonacic-ME714803----
TLK-ME714284----
TO0127900-ME714673----
TocainideTocainideME714748----
tranexamic acidTranexamic acidME714166----
trans-3-Indoleacrylic acid-ME713492----
trans-Zeatintrans-ZeatinME714252449093C00371--
Traumatic AcidTraumatic acidME714548----
TraumatinTraumatinME714004----
TriacetinTriacetinME713590----
TributylamineTributylamineME7141637622---
Trideca-1,3,5-triene-7,9,11-triyne-ME714665----
Triethyl citrate-ME7140366506---
trihomomethionineTrihomomethionineME713977----
Triisopropanolamine-ME71375224730---
trimetozine-ME715005----
Tris(2-butoxyethyl) phosphate-ME7137126540C14446--
(+/-)-TropinoneTropinoneME71427579038C00783--
TroxipideTroxipideME714919----
Tulipalin A-ME714808----
TyramineTyramineME7137825610C00483--
tyramine sulfate-ME714331----
Tyrosinamide-ME714070----
tyr-thrTyr-ThrME714634----
U-69593-ME714715105104---
UNII:6S7S02945H-ME714734----
UracilUracilME7137691174C00106--
Ureidopropionic acidUreidopropionic acidME713746111C02642--
Uric acidUric acidME7136081175C00366--
Urocanic acidUrocanic acidME713548736715C00785--
Urothion-ME713959----
US1840000-ME713731----
ValaciclovirValaciclovirME714103----
val-asnVal-AsnME713522----
ValclavamValclavamME714159----
ValerophenoneValerophenoneME71497466093---
ValineValineME713506----
Val-LeuVal-LeuME713950----
val-pheVal-PheME713836----
Val-proVal-ProME713706----
Valpromide-ME71432871113---
Val-SerVal-SerME714165----
Valyl-4-hydroxyproline-ME714286----
ValylglutamineVal-GlnME713619----
ValylprolineVal-ProME7136039837272---
ValylvalineVal-ValME713621----
VanillinVanillinME714431----
Vanillyl alcohol4-Hydroxy-3-methoxybenzenemethanolME71372162348C06317--
vanillylamin-ME714245----
Verimol J-ME714146----
Veronal5,5-Diethylbarbituric acidME7139462294---
VigabatrinVigabatrinME7135885665C07500--
Vinylbital-ME71408072135---
Vitamin CVitamin CME714278----
VLH-ME714196----
VolkeninVolkeninME713805----
WKK-ME713526----
WMH-ME713826----
XanthineXanthineME7136051188C00385--
XanthosineXanthosineME71438764959C01762--
Xanthurenic acidXanthurenic acidME7134965699C02470--
xanthurenic acid 8-O-sulfate-ME713927----
YK6000000-ME713952----
YLK-ME714750----
(Z)-1,3-Octadiene-ME714561----
ZalcitabineZalcitabineME71348424066C07207--
zingeroneZingeroneME713917----
Z-Maleylacetic acid-ME714762----
(Z)-N-[(2S)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)p...-ME714117----
(Z)-N-[(2S)-2-{(Z)-[(2S)-2-Amino-1-hydroxy-3-methy...-ME714470----
Zolmitriptan-ME713991----


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-HDA-ME7151805312738---
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME71524274300C02774--
10-oxo-8-decenoic acid-ME715317----
10-oxocapric acid-ME715191----
(10S)-Juvenile hormone III acid diol-ME715287----
10-Undecenoic acid10-Hendecenoic acidME715378----
11-Dehydro thromboxane B211-Dehydro-TXB2ME7154075280891---
12-Epileukotriene B412-epi-LTB4ME7153595283130---
12-Hydroxylauric acid12-Hydroxy lauric acidME71541879034C08317--
13,14-Dihydro-15-keto Prostaglandin J2-ME715272----
1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid-ME715071----
1-(3,5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl ac...-ME71516014779700---
1-(3-Furyl)-1,4-pentanediol-ME715084----
1,5-Anhydro-D-erythro-hexo-2,3-diulose-ME715090----
(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid-ME71514324066906---
(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosylox...-ME715341----
1-nonanoic acid-ME7151508158C01601--
1-O-[4-(1H-Indol-3-yl)butanoyl]-beta-D-glucopyrano...-ME715275----
(±)-1-Octen-3-ol-ME715414----
(1R,2S)-1-(7,8-Dihydro-6-pteridinyl)-1,2-propanedi...-ME715384----
(1S,5R)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl b...-ME715369----
1-S-[N-(Sulfooxy)propanimidoyl]-1-thio-beta-D-gluc...-ME715334----
1-Thio-beta-D-glucopyranose-ME715127----
2,2-Bis(hydroxymethyl)propionic acid-ME71534678501---
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME71523511701---
2,3,4,5-Tetrahydroxypentanal-ME715083----
(2,4-Dihydroxyphenyl)(oxo)acetic acid-ME715330----
2,4-Dimethylpimelic acid-ME715293----
2,6-Dideoxy-3-C-methyl-beta-L-ribo-hexopyranose-ME715250----
2,6-Dideoxy-3-O-methyl-L-arabino-hexopyranose-ME715129----
2-(6-Hydroxyhexyl)-3-methylenesuccinic acid-ME71528023872059---
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid-ME715339----
2-(acetylamino)-4-(methylthio)butanoic acid-ME715062----
2-(Acetylamino)-4-phenylbutanoic acid-ME715368227943---
2-(Acetylamino)hexanoic acid-ME715050306142---
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME715240----
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME715397----
2-Aminooctanedioic acid-ME71511177937---
2-Anisic acid-ME71525811370---
2-Benzyl-2-hydroxysuccinic acid-ME715356----
2-Butoxyacetic acid-ME71538541958---
2-deoxy-D-ribonic acid2-Deoxyribonic acidME715078----
2-Deoxypentose-ME715168----
(2E)-3-[4-(Sulfooxy)phenyl]acrylic acid-ME715101----
2-ethyladipic acid-ME715197----
2-Ethylglutaric acid-ME715234----
2-Furoic acid2-Furoic acidME715165-C01546--
2-Furoylglycine2-FuroylglycineME71513321863---
2H-1,4-Benzoxazin-3(4H)-one-ME715301----
2-Hydroxy-1,2-diphenylethyl hydrogen sulfate-ME715288----
2-Hydroxy-4-(4-hydroxyphenyl)butanoic acid-ME71539117760167---
2-Hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME71527111427---
2-Hydroxy-6-keto-2,4-heptadienoate2-Hydroxy-6-keto-2,4-heptadienoateME715294----
2-Hydroxy-6-methoxy-4-vinylphenyl hydrogen sulfate-ME715072----
2-Hydroxybenzyl alcohol2-Hydroxybenzyl alcoholME7153625146C02323--
(+/-)-2-Hydroxyglutaric acid2-Hydroxyglutaric acidME715138----
2-Hydroxyhippuric acidSalicyluric acidME71522010253C07588--
2-hydroxysebacic acid-ME715204----
2-isopropylmaleic acid-ME715333----
2-Keto-glutaramic acid2-Keto-glutaramic acidME715261----
2-Methoxy-4-(2-oxiranylmethyl)phenyl hydrogen sulf...-ME715213----
2-Methylbenzoic acid-ME7151028373C07215--
2-methylcitric acid2-Methylcitric acidME715124----
2-O-(6-phosphono-alpha-D-mannosyl)-D-glyceric acid-ME715222----
2-Oxoglutaric acid2-Oxoglutaric acidME71505351C00026--
2-oxohex-4-enoic acid-ME715382----
(2R)-2,3-Dihydroxypropanoic acidGlyceric acidME715126439194C00258--
(2R,3R,4S,5S,6R)-2-{[(2E)-4-ethenyl-2,5-dimethylhe...-ME715376----
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-(3-methylb...-ME715425----
(2R)-7-Methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin...-ME715279----
(2S)-2-Acetamido-4-aminobutanoic acid-ME715264----
3-[(2Z)-1-Hydroxy-2-buten-2-yl]pentanedioic acid-ME715308----
3-[(2Z)-1-Oxo-2-buten-2-yl]pentanedioic acid-ME715361----
3,3-Dimethylglutaric acid-ME71522520984---
3-[3-Methoxy-4-(sulfooxy)phenyl]propanoic acidDihydroferulic acid 4-sulfateME715183----
3,4-Dihydroxybenzenesulfonic acid3,4-Dihydroxybenzenesulfonic acidME715068189003C06674--
3-(4-Hydroxyphenyl)propionic acidDesaminotyrosineME71507510394C01744--
3,4-Methylenesebacic acid-ME715266----
3,5-Dihydroxybenzoic acid3,5-Dihydroxybenzoic acidME7151007424---
3,5-Dimethoxybenzoic acid-ME71526814332---
3-(5'-methylthio)pentylmalic acid-ME715218----
3-Butene-1,2,3-tricarboxylic acid-ME715164592363---
(3E)-3-Octenedioic acid-ME715120----
3-formylsalicylic acid-ME715122----
3-Hydroxy-2-methylpyridine-ME71534770719---
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME7150961662C03761--
(3-Hydroxybenzyl)malonic acid-ME715323----
3-Hydroxybutyric acid3-Hydroxybutyric acidME715117441---
3-Hydroxyheptanoic acid-ME715276----
3-Hydroxymandelic acid3-Hydroxymandelic acidME71515686957---
3-Hydroxymethyl-phenol3-Hydroxybenzyl alcoholME715383102C03351--
3-Hydroxynonanoic acid-ME715402----
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME715236----
3-Hydroxysebacic acid3-Hydroxysebacic acidME715107----
3-Hydroxysuberic acid3-Hydroxysuberic acidME715327----
3-Hydroxytetradecanedioic acid3-Hydroxy-tetradecanedioic acidME715392----
3-Hydroxyundecanoic acid-ME715379----
3-Indolyl-β-D-glucuronide-ME7151232733785---
3-Indoxyl sulphateIndoxyl sulfateME71503110258---
3-Isopropenylpentanedioic acid-ME715094----
3-Methyladipic acid3-Methyladipic acidME71525712292---
3-Methylazelaic acid-ME715232----
3-Methylcrotonylglycine3-MethylcrotonylglycineME715137169485---
3-Methylglutarate-ME71521012284---
3-Methylglutaric acidMethylglutaric acidME71509812284---
3-oxolauric acid-ME715419----
3-Oxooctanoic acid-ME715108----
3-Phenyllactic acidPhenyllactic acidME7150643848C05607--
3-Phosphoglyceric acid3-Phosphoglyceric acidME715313724C00597--
3-(Sulfooxy)butanoic acid-ME715252----
[3-(Sulfooxy)phenyl]acetic acid-ME715043----
3-tert-Butyladipic acidSebacic acidME71528698967---
4-(2-Aminophenyl)-2,4-dioxobutanoic acid4-(2-Aminophenyl)-2,4-dioxobutanoic acidME715195----
4-(2-Hydroxyethyl)phenyl hydrogen sulfate-ME715065----
4-(5,6-Dihydroxy-6-methyl-1-hepten-2-yl)-1-methyl-...-ME715321----
4a,5-dihydroriboflavin-ME715230----
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME71503419266---
4-[(E)-2-{3,5-Dihydroxy-4-[(1E)-3-hydroxy-3-methyl...-ME715355----
4-Ethyl-2,6-dihydroxyphenyl hydrogen sulfate-ME715226----
4-Ethyl-2-hydroxy-6-methoxyphenyl hydrogen sulfate-ME715172----
4-Ethyl-2-methoxyphenyl hydrogen sulfate-ME715106----
4-Hydroxy-3-(sulfooxy)benzoic acid-ME715221----
4-hydroxy-4-(indol-3-ylmethyl)glutamic acid-ME715370----
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME715118126C00633--
4-Hydroxy-L-threonine4-HydroxythreonineME715292----
4-(hydroxymethyl)benzoic acid-ME715046----
4-Hydroxynonenal4-HydroxynonenalME715340----
4-Methoxy-3-(sulfooxy)benzoic acid-ME715063----
4-Methylcatechol4-MethylcatecholME7153229958C06730--
4-MethylphenolP-CresolME7151672879C01468--
4-Oxo-2-propylpentanoic acid-ME715253----
4-Phenolsulfonic acid-ME7150374765C12849--
5-(1,2-Dihydroxy-2-propanyl)-2-methyl-1,3-cyclohex...-ME715184----
5-[({(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyraz...-ME71534540779355---
5,8,12-Trihydroxy-2-oxododecanoic acid-ME715208----
5-Acetamidopentanoic acid5-Acetamidovaleric acidME715255----
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid-ME715113----
5-Hydantoinpropionic acid-ME715048----
5-Hydroxydecanedioic acid-ME715278----
5-Hydroxyvalproic acid-ME715263----
5-Phenylvaleric acid5-Phenylvaleric acidME715420----
(5Z)-5-Decenedioic acid-ME715199----
6-Aminonicotinic acid-ME71528518496---
6-Deoxy-3-O-methyl-beta-D-galactopyranose-ME715114----
6-Deoxy-D-arabino-hexos-2-ulose-ME715148----
(6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol-ME715245----
(6E,8R,10Z)-8-Hydroxy-3-oxo-6,10-hexadecadienoic a...-ME715404----
6-Hydroxy-2-oxohexanoic acid-ME715319----
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid-ME715207----
6-Hydroxycaproic acid6-Hydroxycaproic acidME71514714490C06103--
6-Methoxysalicylic acid-ME715331591524---
6-Oxohexanoic acid-ME715316----
(6R,8Z)-6-Hydroxy-3-oxo-8-tetradecenoic acid-ME715409----
7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H...-ME715307----
7-Hydroxy-2-oxo-2H-chromen-8-yl beta-D-glucopyrano...-ME715406----
7-ketodeoxycholic acid7-Ketodeoxycholic acidME715171----
7-Mercaptoheptanoylthreonine-ME715194----
7-Oxoheptanoic acid-ME715411----
8-Amino-7-oxononanoic acid8-Amino-7-oxononanoic acidME715335----
(8E)-10-Hydroxy-8-decenoic acid-ME715367----
8-Hydroxy-5,6-octadienoic acid-ME715400----
8-Hydroxyoctanoic acid8-Hydroxyoctanoic acidME715186----
8-Iso-15-keto-prostaglandin-F2ß-ME715290----
9-Hydroxy-10-undecenoic acid(S)-9-Hydroxy-10-undecenoic acidME715181----
9-Oxononanoic acid9-Oxo-nonanoic acidME715087----
9(S)-HpOTrE9S-HpOTrEME715410----
a,a-TrehaloseTrehaloseME715036----
(Ac)2-L-Lys-D-Ala(Ac)2-L-Lys-D-AlaME715363----
AcamprosateAcamprosateME71512571158---
AceglutamideN-Acetylglutamic acidME715070182230---
ACETYL ARGININEN-AcetylarginineME71530367427---
Acexamic acid-ME715211----
Adipic acidAdipic acidME715163196C06104--
a-Lactose-ME715314----
ALA-GLUAla-GluME715289----
.alpha.-Aminoadipic acidalpha-Aminoadipic acidME715110469---
alpha-ketoadipic acidOxoadipic acidME715310----
Aminohippuric acidAminohippuric acidME7151322148---
Aminolevulinic acidAminolevulinic acidME715158137C00430--
APM-ME715311----
Arachidonic acidArachidonic acidME715212444899C00219--
asn-valAsn-ValME715077----
Azelaic acidAzelaic acidME7150472266C08261--
Benzoic acidBenzoic acidME715089243C00180--
beta-Leucinebeta-LeucineME715155----
Bialaphos-ME7152845462314C06457--
Caprylic acidCaprylic acidME715309379C06423--
CapryloylglycineCapryloylglycineME71514984290---
CAPSO-ME7150412733480---
Chenodeoxycholic acid 3-sulfateChenodeoxycholic acid 3-sulfateME715233----
Cholic acidCholic acidME715130221493C00695--
cis-4-Decenedioic acid4Z-Decenedioic acidME715116----
Citraconic acidCitraconic acidME715039643798C01732--
Citric acidCitric acidME715033311C00158--
Cladinose-ME715217----
coenzyme F420-1Coenzyme F420-1ME715395----
Crotonic acidCrotonic acidME715239637090C01771--
Cyclohexanecarboxylic acidCyclohexanecarboxylic acidME7151877413C09822--
Cyclopentylacetic acid-ME71508271606---
D-4-PHOSPHOERYTHRONIC ACID-ME715238----
Decanoic acidCapric acidME7153242969C01571--
D-Erythritol 4-phosphateD-Erythritol 4-phosphateME715352----
D-(-)-ErythroseErythroseME715058----
D-Glucono-delta-lactone-ME7151667027C00198--
D-Glucopyranuronic acidGlucuronic acidME715241----
DiacetylDiacetylME715142650C00741--
Diethyl (2R,3R)-2-hydroxy-3-methylsuccinate-ME715265----
Diethyl tartrate-ME715196----
dihydrozeatin-9-N-glucoside-O-glucoside-ME715338----
dl-3-Indolelactic acidIndolelactic acidME71515192904C02043--
DL-4-Hydroxyphenyllactic acidHydroxyphenyllactic acidME7151039378C03672--
DL-Glutamic acidGlutamic acidME715141----
DL-Lactic Acid-ME715091612C01432--
DL-LysineLysineME715413866C16440--
DL-Malic acidMalic acidME715099525C00711--
DL-Mandelic acid-ME715219----
DL-Mevalonic acid-ME715121449---
DL-ß-LeucineLeucineME715080----
DL-TryptophanTryptophanME7151121148C00806--
Dodecanedioic acidDodecanedioic acidME71531512736C02678--
Dodecyl sulfateBlasticidin SME7150428778C08031--
D-PANTOTHENIC ACIDPantothenic acidME7150456613C00864--
D-Ribulose 5-phosphateRibulose 5-phosphateME715302439184C00199--
D-Xylonic acidXylonic acidME715140----
D-Xylulosonic acid-ME715038----
(E)-Aconitic Acid-ME715136444212C02341--
(E)-p-coumaric acid-ME715386637542C00811--
ErythritolErythritolME715248----
Ethylmalonic acidEthylmalonic acidME71504411756---
f 133a-ME715128----
Ferulic acidtrans-Ferulic acidME715206445858C01494--
Ferulic acid 4-sulfateFerulic acid 4-sulfateME715040----
Flavin mononucleotide (FMN)FMNME715388643976C00061--
gamma-Glutamyl-N~5~-acetylornithine-ME715306----
Gentisic acidGentisic acidME7153873469C00628--
glucoerucin-ME715421----
Gluconic acidGluconic acidME71508110690C08038--
glu-leuGlu-LeuME715390----
Glu-MetGlu-MetME715332----
Glutaric acidGlutaric acidME715417743C00489--
Glycerol 3-phosphatesn-Glycero-3-phosphateME715366754C03189--
Glycerol 5-hydroxydecanoate-ME715364----
Glycocholic acidGlycocholic acidME71535010140C01921--
guaiacol sulfateGuaiacol sulfateME715066----
guaietolin-ME715326----
Heptanoic acidHeptylic acidME7152978094C17714--
HeterodendrinHeterodendrinME715320----
HexitolSorbitolME715254----
HexoseHexoseME715251----
H-GLU-VAL-OH-ME715228----
HIL-ME715365----
Homovanillic acidHomovanillic acidME7151621738C05582--
Hydroxy acrylic acidHydroxyacrylic acidME715299----
Hydroxycaproic acidHydroxycaproic acidME71520399824---
hydroxycitric acidGarcinia acidME715209----
Hydroxymethoxyphenylcarboxylic acid-O-sulphate-ME715134----
γ-Glutamyl phosphate-ME715295----
α-Isopropylmalate-ME71537577---
α-N-AcetylcitrullineN-AcetylcitrullineME715076----
Isethionic acid2-HydroxyethanesulfonateME715190----
Isovalerylglutamic acid-ME715054----
Isovanillic acid-ME71517712575---
JWH 018 N-(5-hydroxypentyl) ß-D-Glucuronide-ME715304----
L-(-)-3-Phenyllactic acidL-3-Phenyllactic acidME715093444718---
L-alpha-Aspartyl-L-phenylalanine-ME71539893078---
L-(+)-Aspartic acidAspartic acidME7152815960C00049--
L-decyline-ME715424----
LeucyltryptophanLeu-TrpME715377----
Leu-LeuLeu-LeuME715405----
Leu-ValLeu-ValME715423----
Levulinic acidLevulinic acidME71539411579---
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME715173----
L-Glutathione oxidizedGlutathioneME71525665359C00127--
LinamarinLinamarinME715274----
Linoelaidic acidLinoelaidic acidME7152015282457---
L-(+)-LeucineLeucineME715273----
L-PhenylalaninePhenylalanineME7150616140C00079--
L-(+)-Tartaric acidTartaric acidME715329444305---
L-Threonic acidThreonic acidME7150745460407C01620--
Matairesinol-ME715348119205C10682--
Mesalamine-ME7152824075---
Methyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate-ME715337----
Methyl 3-hydroxyhexanoate-ME715358----
Methylmalonic acidMethylmalonic acidME715175487C02170--
Methyl O-sulfo-L-tyrosinate-ME715153----
Methylsuccinic acidMethylsuccinic acidME71505710349---
MFCD00041500-ME71532520393C03343--
MFCD00154340-ME715401----
MFCD08277028-ME715035----
MHPGVanylglycolME715073----
Misoprostol acid-ME7154036436406---
MO7700000-ME7153898697---
Monomethyl phthalateMonomethyl phthalateME71514420392---
MW5143500-ME715372348154C10447--
Myrmicacin-ME71541626612---
N-(1H-Pyrrol-2-ylcarbonyl)glycine-ME715104----
N-[(2S)-2-Hydroxypropanoyl]methionine-ME715059----
N(2)-succinyl-L-citrullineN(2)-Succinyl-citrullineME715342----
N2-Succinyl-L-glutamic acid 5-semialdehyde-ME715198----
N-(3-Carboxypropanoyl)-5-hydroxynorvaline-ME715246----
N-[(3E)-3-Heptenoyl]glycine-ME715154----
N-4-hydroxyphenylacetylglutamic acid-ME715298----
N-6,7-Octadienoylglycine-ME715169----
N6-threonylcarbamoyladenosineN6-Carbamoyl-L-threonyladenosineME715152----
N-Acetyl-1-aspartylglutamic acid-ME7152155255C12270--
N-Acetyl-ala-ala-ala-methylester-ME715185----
N-Acetyldemethylphosphinothricin tripeptide-ME715170----
N-Acetyl-D-galactosamine 4-sulfate-ME715227446101---
N-Acetyl-DL-glutamic acidN-Acetylglutamic acidME715193185---
N-Acetyl-DL-norvaline-ME715069306106---
N-Acetyl-L-cysteineN-AcetylcysteineME71517912035---
N-AcetylleucylleucineN-Acetyl-leucyl-leucineME715381----
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME71527070914C00624--
N-Acetyl-L-histidineN-AcetylhistidineME715360----
N-acetyl-LL-2,6-diaminopimelic acid-ME715109----
N-Acetyl-L-leucineN-AcetylleucineME71535370912C02710--
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME71521474839C03519--
N-Acetylnorvaline-ME715051306106---
N-Acetyl-S-2-hydroxyethyl-L-cysteineN-Acetyl-S- (2-hydroxyethyl)-cysteineME715178----
N-Acetyl-Trp-OH-ME715422----
NaringeninNaringeninME715188932---
n-Butyl lactate-ME715119----
N-FormylmethionineN-FormylmethionineME715224439750C03145--
n-heptanoic acidHeptylic acidME7153718094C17714--
Nicotinuric acidNicotinuric acidME71505268499C05380--
N-IsobutyrylglycineIsobutyrylglycineME71506010855600---
N-IsovalerylglycineIsovalerylglycineME715049546304---
N-Methylglutamine-ME715312----
Norepinephrine sulfateNorepinephrine sulfateME715351----
NP-012551-ME715267----
NP-018661-ME715157----
NP-018716-ME715399----
NP-021698-ME715300----
NP-021797-ME715344----
N-Pentanoylphenylalanine-ME715393----
N-(Phenylacetyl)aspartic acid-ME715176----
N-Phenylacetylglutamic acidN-Phenylacetylglutamic acidME715159----
N-Phenylacetylglutamine-ME71519292258C04148--
N-Propionylmethionine-ME715262----
O-(3-Carboxypropanoyl)homoserine-ME715223----
octenedioic acidOctenedioic acidME715182----
olivetolic acid-ME715408----
Orotic acidOrotic acidME715145967C00295--
ParacetamolAcetaminophenME7152371983---
p-Cresylsulfate-ME715030----
PDDF-ME715086----
pentahomomethioninePentahomomethionineME715277----
PhenolPhenolME715296996C00146--
Phenylacetic acidPhenylacetic acidME715229999C07086--
PhenylacetylglycinePhenylacetylglycineME71503268144C05598--
PHENYLBUTYRIC ACIDPhenylbutyric acidME7152914775---
Phenylethyl alcohol2-PhenylethanolME715343----
Phenylpyruvic acidPhenylpyruvic acidME715161997C00166--
porphobilinogenPorphobilinogenME7150921021C00931--
Proacacipetalin-ME715231----
Prostaglandin B1PGB1ME7152695280388C00959--
Prostaglandin E2PGE2ME715354----
Prostaglandin F1aPGF1alphaME715415----
Protocatechuic acidProtocatechuic acidME71534972C00230--
Pro-tyrPro-TyrME715079----
Pyrogallol-2-O-sulphate-ME715085----
Pyruvic acidPyruvic acidME7150971060C00022--
Quinolinic acidQuinolinic acidME7152001066C03722--
QV1MVO1R-ME715205----
Resolvin E1Resolvin E1ME71531810473088---
(S)-2-acetamido-6-oxopimelic acid-ME715202----
Salicylic acidSalicylic acidME715336338C00805--
Salicyluric acidSalicyluric acidME71513510253C07588--
Sebacic acidSebacic acidME7152435192C08277--
S-(Formylmethyl)glutathioneS-(Formylmethyl)glutathioneME715412----
sinapaldehyde glucosideSinapaldehyde glucosideME715380----
ß-D-Glucopyranuronic acidGlucuronic acidME715305----
Suberic acidSuberic acidME71517410457C08278--
Succinic acidSuccinic acidME7153731110C00042--
Succinic semialdehydeSuccinic acid semialdehydeME7150951112C00232--
SuccinylacetoneSuccinylacetoneME715328----
Sulfosalicylic AcidSulfosalicylic acidME7150887322---
Sulfuric acid-ME715067----
(.+/-.)-Tartaric acidTartaric acidME715374875C00552--
TaurineTaurineME7151151123C00245--
TauropineTauropineME715189----
Terephthalic acidTerephthalic acidME7151057489C06337--
THREONIC ACID, L--ME715055----
ThreonylleucineThr-LeuME715396----
Traumatic AcidTraumatic acidME715249----
triacetic acidTriacetic acidME715131----
trp-proTrp-ProME715247----
validone-ME715146----
VanillinVanillinME715259----
Vanillyl alcohol4-Hydroxy-3-methoxybenzenemethanolME71524462348C06317--
Vanillyllactic acid-ME715260----
Vitamin CVitamin CME715139----
Xylenesulfonate-ME71505614756---
XylitolXylitolME7152836912C00379--
ZINGEROL-ME715357----
(Z)-N-[(2S)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)p...-ME715216----


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-oxo-8-decenoic acid-ME715564----
1,1,6-Trimethyl-1,2-dihydronaphthalene-ME715682----
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic...-ME715751----
11-Nitro-1-undecene-ME715892----
12,13-Epoxytrichothec-9-ene-4,7-diol-ME715746----
1,2,4-Butanetriol2-DeoxyerythritolME715501----
1,2-Dihydro-1,2-phenanthrenediol-ME715943----
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid-ME715617----
1,3-Diphenylacetone-ME7157047593---
(±)13-HpODE13-HpODEME715685----
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-...-ME71581814806212---
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,1...-ME715754----
1,4-Dihydro-4-imino-1-β-D-ribofuranosyl-3-pyrid...-ME715681----
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-de...-ME715886----
1,4-Dimethylimidazole-ME715702----
1,5-Dimethyl-8-[(1E)-3-oxo-1-buten-1-yl]-6-oxabicy...-ME715898----
1-Acetylcyclohexyl acetate-ME715575----
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME715666----
1-Cyclohexenecarboxylic AcidCyclohex-1-enecarboxylic acidME715636----
1-Hexadecanoylpyrrolidine-ME715750----
1-Isothiocyanato-7-(methylthio)heptane-ME715868----
1-Methyl-4-(1-methyl-2-propenyl)-benzene-ME715946----
1-Methyladenine1-MethyladenineME71559378821C02216--
1-Methylguanine1-MethylguanineME71550070315---
1-Methylimidazoleacetic acid-ME71545775810C05828--
1-octadecanoyl-2-(7Z,10Z,13Z,16Z)-docosatetraenoyl...-ME715773----
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione-ME715676----
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-...-ME71571472550682---
(1S,2R)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-...-ME715450----
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetra...-ME715743----
(1S,6R,11aR,13R,14aS)-1,13-dihydroxy-6-methyl-1H,4...-ME715723----
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate-ME715724----
2,2'-Iminodipropan-1-ol-ME715434----
2,3,4,5-tetrahydrodipicolinic acid-ME715656----
2-(3-Hydroxy-1-propen-1-yl)phenol-ME715623----
2-(3-phenylpropyl)oxolane-ME715563----
2,4-Diamino-6-nitrotoluene-ME715827----
2,4-Diaminotoluene-ME7157657261C14401--
2,4-Nonadienal-ME715759----
2,4-Quinolinediol-ME7155516864C16716--
2,5-Dimethyl-4-ethoxy-3(2H)-furanone-ME715654----
2,6-Diamino-4-hexenoic acid-ME715583----
2,6-Diamino-4-methyleneheptanedioic acid-ME715637----
2-Acetylcyclohexanone-ME715519----
2-Amino-3-methoxybenzoic acid3-Methoxyanthranilic acidME715659255720C05831--
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME715896----
2-Aminonicotinic acid2-Aminonicotinic acidME71567172930---
2-Butyl-6-methoxyphenol-ME715658----
2'-Deoxysepiapterin2'-DeoxysepiapterinME715599----
2-(Diethoxymethyl)furan-ME715610----
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine-ME715536----
(2E)-2-Cyano-N-(ethylcarbamoyl)-2-(methoxyimino)ac...-ME7156755364079C18498--
(2E,4E,7E)-2,4,7-Decatrienoic acid-ME715646----
(2E,4Z)-N-Isobutyl-2,4-octadecadienamide-ME715794----
2H-Pyran-ME715466----
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahyd...-ME71573657509504---
2-Hydroxyethylclavam-ME715602----
2-Isobutyl-3-methylpyrazine-ME715770----
2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane-ME715763----
2-Methoxy-3-isopropyl-5-methylpyrazine-ME715566----
2-METHYL-L-METHIONINE-ME715914----
2-Methylthiazolidine2-MethylthiazolidineME715829----
2-OxindoleIndolin-2-oneME715444321710C12312--
2-oxo-10-methylthiodecanoic acid-ME715906----
2-Oxo-5-pentyltetrahydro-3-furancarboxylic acid-ME715752----
2-Pyrrolidone2-PyrrolidinoneME715568----
(2S)-2-Amino-8-hydroxyoctanoic acid-ME715769----
(2S)-2-Piperazinecarboxamide-ME715891----
(2S,3R)-3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2,...-ME715668----
(2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwit...-ME715711----
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(...-ME715684----
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic ac...-ME715755----
(2S,8R)-2-Amino-8-hydroxydecanoic acid-ME715917----
(2Z)-2-Nonenoic acid-ME715690----
(2Z,4E)-2,4-Hexadienedial-ME715926----
(2Z,4Z,6Z)-2,4,6-Nonatrienal-ME715622----
(2Z,5E)-6-Hydroxy-4-oxo-2,5-hexadienoic acid-ME715815----
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine-ME715624----
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine-ME715632----
3-[2-(Dimethylamino)ethyl]-5-(1H-1,2,4-triazol-1-y...-ME715775----
3-[2-[(E)-[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl...-ME715634----
3-[(3-Methylbutyl)nitrosoamino]-2-butanone-ME715565----
3,4,5-Trimethoxyphenyl acetate-ME715923----
3,4-Dihydroxy-7-methoxy-2,2,6-trimethyl-2,3,4,6-te...-ME715836----
3,4-Methyleneazelaic acid-ME715703----
3-Acetyl-2,5-dimethylfuran-ME71562961527---
3-Acetyl-6-hydroxy-4a,5-dimethyl-4a,5,6,7,8,8a-hex...-ME715742----
3-Acetyl-7-methyl-1,4,5,6,7,7a-hexahydro-2H-pyrrol...-ME715888----
3-Amino-2,7-dihydroxy-8-methyl-4H-chromen-4-one-ME715929----
3-Amino-5-hydroxybenzoic acid3-Amino-5-hydroxybenzoic acidME715438----
3-Aminosalicylic acid3-Aminosalicylic acidME71545368443---
3-Buten-1-amine3-Buten-1-amineME715475----
(-)-3-dehydroshikimic acid3-DehydroshikimateME715744----
(3E)-4-(1,2,4-Trihydroxy-2,6,6-trimethylcyclohexyl...-ME715669----
3-Hydroxy-2,4,5-pyridinetrimethanol-ME715663----
3-Hydroxy-5-phenylpentanoic acid-ME715612----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME71559286C00632--
3-Hydroxypyridine3-HydroxypyridineME7157377971---
3-Mercaptopropane-1,2-diol-ME715877----
3-Methyl-4-phenyl-2-butanone-ME715959----
3-Methylcrotonylglycine3-MethylcrotonylglycineME715451169485---
3-Methylcyclopentene-ME715439----
3-Methylsulfolene-ME715463----
{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}a...-ME715869----
(3-Phenyl-2-oxiranyl)methyl hydrogen sulfate-ME715928----
3-propylcatechol-ME715705----
(3S)-3-Isopropenyl-6-oxoheptanoic acid-ME715643----
3-Thiomorpholinecarboxylic acidThiomorpholine-3-carboxylic acidME715549----
3-Tropanol-ME715761----
3-Ureidopropionic acidUreidopropionic acidME715502111C02642--
4-[(2-Isopropyl-5-methylcyclohexyl)oxy]-4-oxobutan...-ME715782----
4,4'-Thiobis(butan-2-one)-ME715726----
4,6-Dimethyl-2(1H)-pyrimidinone-ME7158909508---
4,8-Quinolinediol-ME715816----
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME71548018189C02946--
4-ACETAMIDOBUTYRIC ACID4-Acetamidobutanoic acidME71565218189C02946--
4-Allyl-2-methoxy-1,3-benzenediol-ME715779----
4-aminocatechol-ME715725----
4-Aminoimidazole5-AminoimidazoleME715734----
4-Butyloxazole-ME715526----
4-Ethylphenol4-EthylphenolME71552231242C13637--
4-Guanidinobutyric acid4-Guanidinobutanoic acidME715445500C01035--
4-Hydroxy-6-methyl-2-pyrone-ME71582554675757C02752--
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxy...-ME715706----
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTA...NNAL-N-oxideME715905----
4-oxododecanedioic acid-ME715665----
4-Pyridoxic acid4-Pyridoxic acidME7154996723C00847--
(4R,5R)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)-2-c...-ME715544----
[(4R,6R)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltet...MethanolME715731----
4-Sulfanyldihydro-3(2H)-furanone-ME715875----
4-Vinylcatechol-ME715749----
4-[(Z)-2-Aminovinyl]phenol-ME715644----
5-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-2-methylc...-ME715735----
5-(4-Hydroxyphenyl)pentanoic acid-ME715716----
5,5'-Dihydroxy-4,4',8',8'-tetramethyl-4,5-dihydro-...-ME715647----
5-[(5-Hydroxytetrahydro-2-furanyl)methyl]-1,3-benz...-ME715913----
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one-ME715481----
5,8,12-Trihydroxy-2-oxododecanoic acid-ME715576----
5-amino-2-(dimethylamino)benzoic acid-ME715847----
5-Deoxy-5-aminoshikimic acidAminoshikimateME715628----
5-Formyl-2-furoic acid-ME715713----
5-Formyl-6-methyl-2,3-dihydro-1H-pyrrolizine-ME715859----
5-guanidino-3-methyl-2-oxopentanoic acid-ME715874----
5-Hexyl-2-oxotetrahydro-3-furancarboxylic acid5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidME715884----
5-Hydroxy-2-furoic acid5-Hydroxy-2-furoic acidME715830----
5-Hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-...-ME715922----
5-Hydroxykynurenamine-ME715867----
5-Hydroxymethyl-2-furaldehyde5-Hydroxymethyl-2-furancarboxaldehydeME715701237332C11101--
5-Methoxybenzimidazole-ME715631----
5-Methoxyindole-ME71547813872---
5-Methyl-2-octyl-3(2H)-furanone-ME715505----
5-Methylcytidine5-MethylcytidineME715789----
5-Methylcytosine5-MethylcytosineME71549365040C02376--
5-methyldeoxycytidine5-MethyldeoxycytidineME715553440055C03592--
5-methylthioribose5-MethylthioriboseME715591----
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...-ME715474----
5-oxo-1,2-campholide5-Oxo-1,2-campholideME715603----
5-Pentyl-2(5H)-furanone-ME715571----
6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-pt...-ME715767----
6-Aminocaproic acid6-Aminocaproic acidME715645564C02378--
6-imino-5-oxocyclohexa-1,3-dienecarboxylic acid-ME715895----
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol-ME715455----
6-Methylnicotinamide-ME71542896351---
6-Methylquinoline6-MethylquinolineME7155807059---
6-Oxo-pipecolinic acid-ME715842----
6-Pentyl-2H-pyran-2-one-ME715653----
(6S)-2,6-Anhydro-6-[(1S)-2-isopropyl-5-methylcyclo...-ME715817----
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol-ME715853----
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,...-ME715642----
7,8-Dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isoch...-ME715921----
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benz...-ME715693----
(7E)-7-Nonene-3,5-diyn-1-ol-ME715677----
7-Methylguanine7-MethylguanineME71543711361C02242--
7-methylsulfinylheptyl isothiocyanate-ME715904----
7-Octene-3,5-diyn-1-ol-ME715483----
8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol-ME715469----
8-Azabicyclo[3.2.1]octane-1,2,7-triol-ME715462----
8-Hydroxy-5,6-octadienoic acid-ME715679----
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1...-ME715733----
9-[(methylthio)nonyl]thiohydroximate-ME715689----
9-Oxononanoic acid9-Oxo-nonanoic acidME715546----
AcamprosateAcamprosateME71578371158---
AceglutamideN-Acetylglutamic acidME715601182230---
Acetohydroxamic acidAcetohydroxamic acidME7155671990C06808--
AcetophenoneAcetophenoneME7156207410C07113--
AcetylcadaverineN-AcetylcadaverineME715691----
Acetyl-L-methionineN-AcetylmethionineME715586448580C02712--
AdenineAdenineME715607190C00147--
AdenosineAdenosineME71547960961C00212--
Adipic acidAdipic acidME715879196C06104--
ala-ileAla-IleME715748----
AllantoinAllantoinME715511----
alpha-methylstyrene-ME715887----
Aminohippuric acidAminohippuric acidME7155322148---
Aminolevulinic acidAminolevulinic acidME715648137C00430--
AnhalamineAnhalamineME715791----
AnisoleAnisoleME715812----
Anthranilic acid2-Aminobenzoic acidME715739227C00108--
anticapsin-ME715878----
AprobarbitalAprobarbitalME7159446464C07826--
apronalide-ME715473----
Arbusculin A-ME715822----
ArecaidineArecaidineME715528----
Atraton-ME71551715359---
(+)-AureothinAureothinME715851----
Avenalumic acid-ME715951----
Basic Violet 1-ME715927164877---
Benznidazole-ME715683----
BenzocaineBenzocaineME7158462337---
Benzoxazolone2-BenzoxazololME715427----
benzyl alcoholBenzyl alcoholME715555----
BenzylideneacetoneBenzylideneacetoneME715947637759---
beta-Pyracin-ME715838----
Bethanidine-ME715516----
BiopterinBiopterinME7158722380C06313--
Bis(2-ethylhexyl) phthalateBis(2-ethylhexyl)phthalateME7158488343---
Bis(3,5,5-trimethylhexyl) phthalate-ME715894----
butalbitalButalbitalME7159562481---
butoctamide-ME715537----
butyl acrylateButyl acrylateME715717----
Butyryl-L-homoserine lactone-ME715543----
(+/-)-C75-ME7155614248455---
C7-HSL-ME715633----
CadaverineCadaverineME715949----
CaffeineCaffeineME7154912519C07481--
(+/-)-Camphoric acid-ME715539----
CaprolactamEpsilon-caprolactamME7155797768C06593--
cis-4-Hydroxy-D-prolinecis-4-Hydroxy-D-prolineME715945440014C03440--
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dieneca...-ME715589----
Citroflex A-4-ME7159256505---
clomazone-ME71544854778C11095--
Clomazone-ME71561554778C11095--
(+/-)-ConiineConiineME7159349985---
CreatineCreatineME715482586C00300--
CreatinineCreatinineME715426588C00791--
CrotanecineCrotanecineME715590----
CuminaldehydeCuminaldehydeME715850326C06577--
Cyanohydroxy buteneCyanohydroxybuteneME715805----
CyclohexanoneCyclohexanoneME715910----
CyclohexylamineCyclohexylamineME7154407965C00571--
Cyclo(leucylprolyl)-ME715948102892---
CYCLO(-SER-TYR)-ME715942----
Cyprodenate-ME715510----
CytosineCytosineME715449597C00380--
dacisteine-ME715514----
DaminozideDaminozideME71569615331C10996--
DeanolDimethylethanolamineME715710----
Dehydronorketamine-ME715729162835---
delta-guanidinovaleric acidDGVAME715496----
deoxyhypusineDeoxyhypusineME715535----
DesthiobiotinDethiobiotinME715740643C01909--
D-(+)-GlucoseGlucoseME7157095793C00293--
DIACETIN MONOPROPANOATE-ME715771----
DiaveridineDiaveridineME71568621453---
Dibutyl phthalateDibutyl phthalateME7158803026---
DiethanolamineDiethanolamineME715468----
Diethylamine-ME715545----
Diethylpyrocarbonate-ME715538----
dihomomethionineDihomomethionineME715562----
dihydropyranone-ME715707----
DihydrothymineDihydrothymineME71571293556C00906--
Dipropylene glycol dimethyl ether-ME715436----
D-Lactose monohydrate-ME715447----
DL-Carbidopa-ME715554----
DL-GlutamineGlutamineME715897738C00303--
DL-HistidineHistidineME715882----
DL-HomocysteineHomocysteineME715618778C05330--
DL-TryptophanTryptophanME7155301148C00806--
Dolichotheline-ME715938----
D-PANTOTHENIC ACIDPantothenic acidME7154436613C00864--
D-(+)-ProlineD-ProlineME7155818988C00763--
D-RaffinoseRaffinoseME715912439242C00492--
d-Valerolactam-ME715497----
(E)-4-Oxo-2-hexenal-ME715747----
Edoxudine-ME715728----
(E,E)-2,4-Dodecadienal-ME715627----
EJ4025000-ME71569513542C19277--
EPINEPHRINE 4-SULFATE-ME715766----
Ergine-ME715630----
EthinylestradiolEthinyl estradiolME7158045991C07534--
Ethyl acetateEthyl acetateME715533----
Ethyl methylphenylglycidate-ME715844----
Ferulic acidtrans-Ferulic acidME715796445858C01494--
FexofenadineFexofenadineME7158563348C06999--
GabapentinGabapentinME7157643446---
gaboxadol-ME715446----
gamma-Aminobutyric acidgamma-Aminobutyric acidME715876119C00334--
g-Guanidinobutyrate-ME715465500C01035--
GinkgotoxinGinkgotoxinME715699----
gln-lysGln-LysME715732----
GlucosamineGlucosamineME715730441477C08349--
Glucuronamide-ME715525----
glu-proGlu-ProME715873----
GlycocyamineGuanidoacetic acidME715688763C00581--
Glycylprolylhydroxyproline-ME715819----
Gly-l-pro-ME715955----
GLY-METGly-MetME715966----
Gly-thrGly-ThrME715621----
HarmalolHarmalolME715672----
HeliotrineHeliotrineME715718----
Heptadec-1,7,9-trien-11,13,15-triyne-ME715920----
HeterodendrinHeterodendrinME715831----
HexanalCaproaldehydeME715625----
Hexyl 2-furoate-ME715606----
Hexylbenzene-ME715828----
Hippuric acidHippuric acidME715472464C01586--
HistamineHistamineME715758774C00388--
HMBA-ME715852----
Homo-L-arginineHomoarginineME715784----
homovanillinHomovanillinME715670----
HypoxanthineHypoxanthineME715521790C00262--
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME715908----
indol-2-one-ME715641----
IndoleIndoleME715638798C00463--
InosineInosineME7155706021C00294--
Irgafos 168-ME71578791601---
Iridomyrmecin-ME715820----
Isoamylamine3-Methyl-1-butylamineME7158097894C02640--
Isovalerylglutamic acid-ME715541----
Kanosamine-ME715515164683---
KetamineKetamineME7156513821---
lentiginosineLentiginosineME715664----
Leu-LeuLeu-LeuME715962----
Leu-ValLeu-ValME715454----
LevetiracetamLevetiracetamME7157865284583---
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME715772----
L-Glutamic acidGlutamic acidME71586533032C00025--
L-γ-Glutamyl-L-prolineGlu-ProME715722----
L-IsoleucineIsoleucineME7158136306C00407--
L-(-)-methionineMethionineME7154566137C00073--
L-(-)-MethionineMethionineME7154676137C00073--
L-Methionine sulfoxide-ME715795158980C02989--
LNK-ME715609----
L-NorleucineNorleucineME71547021236C01933--
L-Norvaline2S-Aminopentanoic acidME715471----
loganateLoganic acidME715940----
L-PhenylalaninePhenylalanineME7154946140C00079--
L(-)-Pipecolinic acid-ME715504439227C00408--
L-ProlinamideMethionine (S)-S-oxideME715810----
L-Pyroglutamic acidPyroglutamic acidME7157197405C01879--
L-(-)-ThreonineThreonineME7154886288C00188--
LU3453000-ME715826----
(-)-LupinineLupinineME715933----
lycopsamineLycopsamineME715650----
meprobamateMeprobamateME7159094064---
(+/-)-MetanephrineL-MetanephrineME71583921100C05588--
metharbitalMetharbitalME7157804099---
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate-ME715614428827---
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2...-ME715667----
Methyl 5-(hydroxymethyl)-3-pyrrolidinecarboxylate-ME715803----
Methyl bisnorbiotinyl ketone-ME715738----
?-methyldopa-3-0-sulfate-ME715834----
methylguanidineMethylguanidineME715558----
Methylimidazoleacetic acidMethylimidazoleacetic acidME71545875810C05828--
Methyl O-sulfo-L-tyrosinate-ME715864----
MevalonolactoneMevalonolactoneME71569410428---
MFCD00053704-ME715605----
MFCD00130070-ME715800----
MFCD00191654-ME715899----
MFCD00272697-ME715964----
MFCD01318772-ME715727----
moroxydine-ME715814----
morzid-ME715885----
N~2~-Acetyl-L-ornithineN-AcetylornithineME715935----
N2-DimethylguanosineN2,N2-DimethylguanosineME715870----
N-[(2S,3R,4E)-1-{[4-O-(beta-D-Galactopyranosyl)-be...-ME715492----
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide-ME715708----
N-(3,4-Dihydroxyphenyl)glutamine-ME715798----
N-(3-acetamidopropyl)pyrrolidin-2-oneAcisogaME715548----
N-(3-Aminopropyl)-3-(3,4-dihydroxyphenyl)propanami...-ME715523----
N-(3-Hydroxyhexanoyl)glycine-ME715584----
N3,N4-Dimethyl-L-arginine-ME715843----
N4-AcetylcytidineN4-AcetylcytidineME715557----
N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-2-o...-ME715954----
Na-{[(2R)-1-(4-morpholinylcarbonyl)-2-piperazinyl]...-ME715965----
N-Acetyl-a-D-glucosamine-ME715503----
N-Acetyl-D-quinovosamine-ME715952----
N-AcetylhistamineN-AcetylhistamineME71546169602C05135--
N-acetyl-L-2-aminoadipic acidN-Acetyl-2-aminoadipic acidME715524----
N-Acetyl-L-cysteineN-AcetylcysteineME71593612035---
N-AcetylleucylleucineN-Acetyl-leucyl-leucineME715924----
N-Acetyl-L-histidineN-AcetylhistidineME715881----
N-acetyl-LL-2,6-diaminopimelic acid-ME715811----
N-Acetyl-L-leucineN-AcetylleucineME71580870912C02710--
N-AcetylputrescineN-AcetylputrescineME715542122356C02714--
N-Acetyl-S-2-hydroxyethyl-L-cysteineN-Acetyl-S- (2-hydroxyethyl)-cysteineME715807----
N-AcetylserotoninN-AcetylserotoninME715855903C00978--
N-Acetyltyramine-ME715484121051---
N-AcetylvalineN-AcetylvalineME715520227752---
nalidixic acidNalidixic acidME7154644421C05079--
n-Amylbenzene-ME715883----
N-(Carboxymethyl)norleucine-ME715540----
NI3400000-ME715797----
NicotinamideNiacinamideME715512936C00153--
Nicotinic acidNicotinic acidME715768938C00253--
Nicotinuric acidNicotinuric acidME71547668499C05380--
Nitrosoguvacoline-ME715776----
Nitrosoheptamethyleneimine-ME715433----
N-MethylhexanamideN-Methyl hexanamideME715854----
N-Methylhistamine1-MethylhistamineME715452912---
N-Methylisopelletierine-ME715931----
N,N-Diethylethanolamine-ME7154317497---
N,N-Diisopropylethylamine (DIPEA)-ME71549081531---
N,N-dimethylarginineDimethylarginineME715700----
N,N-DimethylglycineDimethylglycineME715556673C01026--
N,N'-Diphenylguanidine-ME715918----
N-NitrosodiethylamineN-NitrosodiethylamineME7159155921C14422--
N-NonanoylglycineN-NonanoylglycineME715941----
Norketamine-ME715547123767---
NP-000919-ME715640----
NP-001346-ME715866----
NP-002322-ME715790----
NP-002855-ME715657----
NP-003459-ME715587----
NP-004036-ME715639----
NP-005397-ME715792----
NP-006656-ME715720----
NP-007138-ME715802----
NP-008952-ME715662----
NP-012017-ME715760----
NP-013663-ME715837----
NP-014287-ME715930----
NP-016455-ME715911----
NP-018817-ME715774----
NP-019360-ME715660----
NP-019374-ME715835----
NP-019722-ME715919----
NP-019811-ME715655----
NP-020454-ME715459----
NP-021018-ME715698----
N-Pentacosanoylglycine-ME715960----
N-Phenylacetylglutamine-ME71561692258C04148--
N-Propionylmethionine-ME715777----
n-propylbenzene-ME715674----
N(tau)-Methyl-L-histidine-ME715604----
N-(tert-Butoxycarbonyl)-L-leucine-ME715435----
N-Tridecanoylglycine-ME715889----
Nudifloramide-ME715429----
N-UndecanoylglycineN-UndecanoylglycineME715741----
nylon cyclic dimer-ME715597----
OrcinolOrcinolME715821----
orciprenaline-ME7158014086C07144--
Ormetoprim-ME71574523418---
o-sec-Butylphenol-ME7156736984C14138--
Oxepanone-ME71561110401---
OxindoleIndolin-2-oneME715932321710C12312--
Oxirane, 2-(6-heptenyl)-3-(2,4-pentadiynyl)--ME715963----
Panthenyl ethyl ether-ME715619----
ParacetamolAcetaminophenME7154411983---
PEG-4-ME715508----
PEG n10-ME71558279689---
PEG n11-ME71567881260---
PEG n12-ME71578881248---
PEG n13-ME71586287168---
PEG n14-ME715939656926---
PEG n5Pentaethylene glycolME71550662551---
PEG n6-ME71550717472---
PEG n7-ME71550979718---
PEG n8-ME71551378798---
pentahomomethioninePentahomomethionineME715569----
pentobarbitalPentobarbitalME7159034737---
phe-lysPhe-LysME715778----
phenacemide-ME715635----
PhenethylaminePhenylethylamineME7155941001C05332--
PhenylacetylglycinePhenylacetylglycineME71543268144C05598--
PHENYLBUTYRIC ACIDPhenylbutyric acidME7157934775---
Phenylglyoxal-ME715857----
Phenylisocyanate-ME715937----
PilocarpinePilocarpineME7159505910C07474--
Pipecolic acidPipecolic acidME715860849---
piperidinecarboxylic acid-ME715907----
PivagabinePivagabineME715529----
Pogostone-ME715721----
PPG n4-ME71587191234---
Pramiracetam-ME715832----
Pro-Hyp-ME715840----
Prolinamide-ME715824550774---
ProlineProlineME715489145742C00148--
ProlylleucinePro-LeuME715442444109---
Pro-ProPro-ProME715958----
Pro-tyrPro-TyrME715661----
Pt-ME715953----
PutrescinePutrescineME7157811045C02896--
PYRIDOXAMINEPyridoxamineME7158581052C00534--
PyridoxinePyridoxineME7155181054C00314--
Pyrone-ME715901----
QV1MVO1R-ME715595----
RilmenidineRilmenidineME71586368712C11120--
(S)-(+)-2-Aminobutyric Acid-ME71568780283C02356--
S-3-oxodecanoyl cysteamine-ME715916----
salicylamideSalicylamideME7155605147---
salinosporamide B-ME715588----
Sebacic acidSebacic acidME7155735192C08277--
Senkyunolide A-ME715757----
Ser-SerSer-SerME715600----
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamot...-ME715841----
S-methyl D-thioglycerate-ME715715----
Strigolactone ABC-rings-ME715799----
StyreneStyreneME715550----
SULBACTAM PIVOXIL-ME715762----
Sulfurol5-(2-Hydroxyethyl)-4-methylthiazoleME7159571136C04294--
TaurineTaurineME7154851123C00245--
Tetrahydro-5-oxo-2-furanacetic acid-ME715574----
TetralinTetralinME715845----
Tetramethylpyrazine-ME71553414296---
Tetramethylurea-ME715753----
Tetranor-PGDMTetranor-PGDMME71582344600448---
ThiorphanThiorphanME715697----
thr-proThr-ProME715487----
THTA2-Tetrahydrothiopheneacetic acidME715577----
ThymineThymineME7158611135C00178--
ThymolThymolME7157856989---
Tiformin-ME715849----
TKK-ME715460----
Tomelukast-ME715626----
trans-3-Indoleacrylic acid-ME715531----
TriethylamineTriethylamineME715559----
Triethylene glycol monobutyl ether-ME7156088923---
trihomomethionineTrihomomethionineME715578----
Triisopropanolamine-ME71549824730---
Trimethylamine N-oxideTrimethylamine N-oxideME715430----
Trolox-ME71575640634---
TropinePseudotropineME715596----
UracilUracilME7158931174C00106--
Uric acidUric acidME7155271175C00366--
Urocanic acidUrocanic acidME715477736715C00785--
val-asnVal-AsnME715572----
valganciclovirValganciclovirME71549564147---
Val-proVal-ProME715613----
Valpromide-ME71596171113---
ValylvalineVal-ValME715692----
VERNOLIC ACID, CIS-(-)--ME715833----
Veronal5,5-Diethylbarbituric acidME7159002294---
VigabatrinVigabatrinME7155525665C07500--
Vitamin CVitamin CME715486----
Vitamin E Acetate-ME715598----
VolkeninVolkeninME715680----
Xanthurenic acidXanthurenic acidME7156495699C02470--
ZalcitabineZalcitabineME71580624066C07207--
zindotrine-ME715902----
(Z,S)-pyrethrolone-ME715585----


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-HDA-ME7160545312738---
10-oxo-8-decenoic acid-ME716080----
10-oxocapric acid-ME716139----
13,14-Dihydro-15-keto Prostaglandin J2-ME716097----
1-(3-Furyl)-1,4-pentanediol-ME716138----
(±)13-HODE13-HODEME716129----
13(S)-HOTrE13S-HOTrEME71615116061072---
(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid-ME71612324066906---
16-Hydroxyhexadecanoic acidJuniperic acidME71615310466C18218--
1-Methyl-3,6-(1H,2H)-pyridazinedione-ME71603595157---
1-nonanoic acid-ME7160848158C01601--
1-Thio-beta-D-glucopyranose-ME716131----
2,2-Bis(hydroxymethyl)propionic acid-ME71614178501---
2,6-Dideoxy-3-O-methyl-L-arabino-hexopyranose-ME716027----
2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one-ME716125----
2-Acetyl-5-hydroxyphenyl hydrogen sulfate-ME716095----
2-(acetylamino)-4-(methylthio)butanoic acid-ME716000----
2-(Acetylamino)hexanoic acid-ME715986306142---
2-deoxy-2-fluoro-?-D-galactose-ME716137----
2-Deoxypentitol2-Deoxy-D-ribitolME716071----
2-Deoxypentose-ME716063----
(2E)-3-[4-(Sulfooxy)phenyl]acrylic acid-ME715988----
2H-1,4-Benzoxazin-3(4H)-one-ME716093----
2-Hydroxybenzyl alcohol2-Hydroxybenzyl alcoholME7161325146C02323--
2-Hydroxyhippuric acidSalicyluric acidME71601810253C07588--
2-Keto-glutaramic acid2-Keto-glutaramic acidME716025----
2-Methylbenzoic acid-ME7161118373C07215--
2-Naphthalenesulfonic acid-ME7160678420C16202--
2-Oxobutyric acid3-Methyl pyruvic acidME71605558C00109--
2-Oxoglutaric acid2-Oxoglutaric acidME71598151C00026--
(2S)-2,3-Dihydroxypropyl pentadecanoate-ME716108----
(2Z)-2-Nonenoic acid-ME716126----
3,4-Dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME716096547C01161--
3,4-Dihydroxyphenylglycol O-sulfate3,4-Dihydroxyphenylglycol O-sulfateME716089----
(3,4-Dihydroxyphenyl)(hydroxy)acetonitrile-ME716102----
3-Butene-1,2,3-tricarboxylic acid-ME716077592363---
3-Deoxy-D-glycero-D-galacto-2-nonulosonic Acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME716081----
3-Hydroxybenzoic acid3-Hydroxybenzoic acidME7161207420C00587--
3-Hydroxyheptanoic acid-ME715998----
3-Hydroxynonanoic acid-ME716085----
3-Hydroxysebacic acid3-Hydroxysebacic acidME716117----
3-Hydroxyvaleric acid3-Hydroxyvaleric acidME715990107802---
3-Isopropenylpentanedioic acid-ME716099----
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate3-Methoxy-4-hydroxyphenylethyleneglycol sulfateME7160304183---
3-Methylazelaic acid-ME716062----
3-Methylglutaric acidMethylglutaric acidME71610112284---
3-Methylsalicylic acid-ME7160756738C14088--
3-Methylsuberic acid3-Methylsuberic acidME716121----
3-Oxooctanoic acid-ME716056----
3-oxopalmitic acid-ME716146----
3-Phenoxypropionic acid-ME71602981596---
3-Phenyllactic acidPhenyllactic acidME7159853848C05607--
4-(2-Hydroxyethyl)phenyl hydrogen sulfate-ME716064----
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME71596719266---
4-ACETAMIDOBUTYRIC ACID4-Acetamidobutanoic acidME71610018189C02946--
4-Dodecylbenzenesulfonic acid4-Dodecylbenzenesulfonic acidME7160318485---
4-Ethyl-2,6-dihydroxyphenyl hydrogen sulfate-ME716104----
4-ethylphenylsulfonic acid-ME716098----
4-Hydroxy-2-oxoheptanedioic acid4-Hydroxy-2-oxo-heptanedioic acidME715971----
[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid-ME716070----
4-(hydroxymethyl)benzoic acid-ME716073----
4-hydroxyphenylglyoxylate-ME716069----
4-IndolecarbaldehydeIndole-4-carboxaldehydeME716087333703---
4-MethylphenolP-CresolME7160742879C01468--
4-Oxoproline4-Oxo-prolineME716007413589C01877--
4-phenolsulfonic acid-ME7159754765C12849--
4-Sulfobenzoic acid4-Sulfobenzoic acidME716110----
4-Toluic acid-ME7159877470C01454--
5-(1,2-Dihydroxy-2-propanyl)-2-methyl-1,3-cyclohex...-ME716088----
5-Aminovaleric acid5-Aminopentanoic acidME716065138C00431--
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid-ME716052----
5-Hydantoinpropionic acid-ME715977----
5-Hydroxyvalproic acid-ME716082----
5-Nitrilonorvaline-ME716068----
6-Acetamido-2-oxohexanoic acid2-Keto-6-acetamidocaproic acidME716128----
6-Deoxy-3-O-methyl-beta-D-galactopyranose-ME716143----
6-Hydroxycaproic acid6-Hydroxycaproic acidME71601014490C06103--
6-Methylindole-ME716114137928---
6-Oxohexanoic acid-ME716053----
7-Oxoheptanoic acid-ME716021----
8-Amino-7-oxononanoic acid8-Amino-7-oxononanoic acidME716092----
8-Hydroxyoctanoic acid8-Hydroxyoctanoic acidME716094----
(±)9-HpODE9S-HpODEME716147----
9-Hydroxy-10-undecenoic acid(S)-9-Hydroxy-10-undecenoic acidME716136----
9-Oxononanoic acid9-Oxo-nonanoic acidME715980----
9(Z),11(E)-Conjugated linoleic acid-ME7160095280644C04056--
AcamprosateAcamprosateME71601171158---
AceglutamideN-Acetylglutamic acidME716050182230---
AcetanilideN-AcetylarylamineME716043904C02558--
ACETOPYRUVIC ACID-ME716083----
AcetylarginineN-AcetylarginineME716133102807---
Acetylhistamine-ME71611569602C05135--
Acrylic acidAcrylic acidME7161186581C00511--
Adipic acidAdipic acidME716106196C06104--
Agrocybin-ME716076----
alpha-ketoadipic acidOxoadipic acidME716142----
alpha-Ketoglutaric acid2-Oxoglutaric acidME71603251C00026--
Anthranilic acid2-Aminobenzoic acidME716024227C00108--
Arachidonic acidArachidonic acidME716059444899C00219--
asn-valAsn-ValME716130----
Azelaic acidAzelaic acidME7160512266C08261--
Benzoic acidBenzoic acidME715995243C00180--
CAPSO-ME7160032733480---
CEGABA-ME716066----
cis-4-Decenedioic acid4Z-Decenedioic acidME716057----
Citraconic acidCitraconic acidME716040643798C01732--
Crotonic acidCrotonic acidME716042637090C01771--
Cyclohexanecarboxylic acidCyclohexanecarboxylic acidME7160017413C09822--
D-(+)-ArabitolArabitolME71604494154C01904--
D-Glucono-delta-lactone-ME7160337027C00198--
D-glucosoneD-GlucosoneME716060----
Diethyl (2R,3R)-2-hydroxy-3-methylsuccinate-ME716022----
DL-Mevalonic acid-ME715999449---
DL-PhenylalaninePhenylalanineME716061----
Dodecanedioic acidDodecanedioic acidME71611312736C02678--
Dodecyl sulfateBlasticidin SME7160238778C08031--
D-PANTOTHENIC ACIDPantothenic acidME7160056613C00864--
D-XylonolactoneD-Xylono-1,5-lactoneME716107----
ErythritolErythritolME716026----
Ethylmalonic acidEthylmalonic acidME71596811756---
Ferulic acid 4-sulfateFerulic acid 4-sulfateME716002----
Fumaric acidFumaric acidME716012444972---
Gentisic acidGentisic acidME7160463469C00628--
Gly-HisGly-HisME716152----
guaiacol sulfateGuaiacol sulfateME716037----
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...-ME716134----
HexanoylglycineHexanoylglycineME71610999463---
HexitolSorbitolME716048----
HexoseHexoseME715974----
his-aspHis-AspME716154----
Indole-3-carboxilic acid-O-sulphate-ME716145----
Isobutyric acidIsobutyric acidME7159796590C02632--
Isovalerylglutamic acid-ME716103----
Itaconic acidItaconic acidME715982811C00490--
L-Alanyl-L-glutamineAla-GlnME715996----
Levulinic acidLevulinic acidME71601711579---
licodione-ME716148----
L-(+)-Tartaric acidTartaric acidME716008444305---
Mesaconic acidMesaconic acidME715970638129C01732--
Methylmalonic acidMethylmalonic acidME715976487C02170--
Methyl O-sulfo-L-tyrosinate-ME716072----
Methylsuccinic acidMethylsuccinic acidME71599710349---
Mevalonic acidMevalonic acidME716016449---
Myristic acidMyristic acidME71611211005---
Myristyl sulfate-ME7160865248---
N-(1H-Pyrrol-2-ylcarbonyl)glycine-ME716015----
N-[(2S)-2-Hydroxypropanoyl]glycine-ME715993----
N-[(3E)-3-Heptenoyl]glycine-ME716045----
N-(4-Hydroxybutanoyl)glycine-ME715983----
N-8-Nonenoylglycine-ME716140----
N-Acetyl-DL-norvaline-ME715991306106---
N-Acetylnorvaline-ME716006306106---
Nicotinic acidNicotinic acidME716078938C00253--
Nicotinuric acidNicotinuric acidME71601468499C05380--
NP-021797-ME716150----
N-Phenylacetylglutamine-ME71611992258C04148--
N-UndecanoylglycineN-UndecanoylglycineME716116----
octenedioic acidOctenedioic acidME716047----
Oleic acidOleic acidME716020965C00712--
Orotic acidOrotic acidME716058967C00295--
Oxalosuccinic acidOxalosuccinic acidME716124----
ParacetamolAcetaminophenME7161051983---
paracetamol sulfateParacetamol sulfateME715972----
p-Cresylsulfate-ME715969----
PhenolPhenolME716135996C00146--
PhenylacetylglycinePhenylacetylglycineME71597368144C05598--
Pimelic acidPimelic acidME716028385C02656--
Pipecolic acidPipecolic acidME716034849---
PyridoxinePyridoxineME7160911054C00314--
Pyrogallol-2-O-sulphate-ME716049----
Pyruvic acidPyruvic acidME7160411060C00022--
QV1MVO1R-ME716004----
RG1300000-ME716149----
Salicylic acidSalicylic acidME716013338C00805--
Stearic acidStearic acidME7159785281---
Suberic acidSuberic acidME71603810457C08278--
Succinic acidSuccinic acidME7160191110C00042--
SucroseSucroseME7159945988C00089--
Sulfosalicylic AcidSulfosalicylic acidME7159847322---
TauropineTauropineME716122----
trans-caffeic acid-ME716090689043C01197--
tyramine sulfate-ME716144----
UracilUracilME7159921174C00106--
ureidoacrylic acidUreidoacrylic acidME715989----
Urocanic acidUrocanic acidME716079736715C00785--
Valyl-4-hydroxyproline-ME716127----
Vitamin CVitamin CME716039----
Xylenesulfonate-ME71603614756---


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