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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
10-HDA-ME7124315312738---
10-oxo-8-decenoic acid-ME712142----
1,1,6-Trimethyl-1,2-dihydronaphthalene-ME712139----
11-Aminoundecanoic acid11-Aminoundecanoic acidME712376----
11-Nor-9-carboxy-thc-ME712031107885---
1,2-Benzoquinone-ME712174----
1,2-Cyclohexadione-ME712117----
1,3,7-Octanetriol1,3,7-OctanetriolME711837----
1,3,7-Trimethyluric acid1,3,7-Trimethyluric acidME71227079437C16361--
1-(3a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrol...-ME712089----
1,3-Dipropylxanthine-ME712083----
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-...-ME71234414806212---
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,1...-ME712404----
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxyl...-ME712118----
1-(4-Amino-4-deoxy-beta-D-glucopyranuronosyl)-4-im...-ME711812----
1-(4-Benzyl-1-piperazinyl)-2-[(3R,4S)-3-{[5-(cyclo...-ME71233826743244---
1-(4-Hydroxyphenyl)-1-decene-3,5-dione-ME712295----
16alpha,19-Dihydroxy-4-androstene-3,17-dione-ME712373----
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracy...-ME712277----
1,7-Dihydroxy-6,6-dimethyl-3,5,5a,6,7,8,9a,9b-octa...-ME712311----
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME712224----
1-(beta-D-ribofuranosyl)thymineRibothymidineME711867----
1-Deoxynojirimycin-ME712150----
1-Hexadecanoylpyrrolidine-ME712188----
1-Isopropenyl-3-isopropylbenzene-ME712184----
1-Methylhistidine1-MethylhistidineME711878352019---
1-Methylimidazole-4-acetaldehyde-ME712033----
1-Methylimidazoleacetic acid-ME71201875810C05828--
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione-ME711850----
1-Piperideine1-PiperideineME712133----
(1R,9R)-N-(4-Fluorophenyl)-5-[(3-methoxypropanoyl)...-ME712332----
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethy...-ME712205----
(1S)-1-Carboxy-N,N,N-trimethyl-2-(2-thioxo-2,3-dih...-ME712263----
(1S,2S)-1-(4-Methoxyphenyl)-1,2-propanediol-ME712401----
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-pen...-ME71201423928101---
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetra...-ME712153----
(1Z)-N-[3-Hydroxy-2-(octanoyloxy)propyl]octanimidi...-ME711886----
20-Dihydro 6a-methylprednisone-ME712252----
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic ...-ME712273----
2-(1H-indol-3-yl)acetic acidIndoleacetic acidME712390----
2,2,6,6-Tetramethyl-4-piperidinol-ME71202775471---
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic a...-ME712230----
2,2'-Iminodipropan-1-ol-ME711862----
2,3-Bis(octanoyloxy)propanimidic acid-ME712196----
240I539PWQ-ME712025----
2,4,6-Octatriyn-1-ol-ME711873----
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyrano...2,4-Diacetamido-2,4,6-trideoxy-alpha-mannoseME711997----
2',4-Dihydroxychalcone-ME712141----
2,4-Dimethyladipic acid-ME712254----
2,5-Dimethyl-4-ethoxy-3(2H)-furanone-ME712310----
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-y...-ME712372----
2-Acetamidooctanoic acidN-Acetyl-2-aminooctanoic acidME712182----
2-Acetyl-4-methylpyridine-ME711872----
2-Amino-3-methoxybenzoic acid3-Methoxyanthranilic acidME712057255720C05831--
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tet...-ME712050----
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME712320----
2-Aminonicotinic acid2-Aminonicotinic acidME71189272930---
2-Decylfuran-ME712300----
2'-DeoxycytidineDeoxycytidineME711857----
2-deoxy-D-gluconic acid-ME712132----
2'-DeoxyinosineDeoxyinosineME71238165058C05512--
2-(Diethoxymethyl)furan-ME712099----
2-(Diethylamino)ethanol-ME7119167497---
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde-ME711808----
(2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxi...-ME712262----
(2E,4E,7E)-2,4,7-Decatrienoic acid-ME712374----
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide-ME712362----
(2E,6Z)-Nona-2,6-dienal-ME712202----
2-Furoic acid2-Furoic acidME712226-C01546--
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahyd...-ME71238357509504---
2-hydroxyhepta-2,4-dienedioic acid-ME712384----
2-Hydroxyhippuric acidSalicyluric acidME71208810253C07588--
2-Hydroxy-N-(2-hydroxyethyl)propionamide-ME712255----
2-hydroxysebacic acid-ME712158----
2-Isobutyl-3-methylpyrazine-ME712336----
2-Methyl-3-thioacetoxy-4,5-dihydrofuran-ME711841----
2-Methylthiazolidine2-MethylthiazolidineME711938----
2-Naphthol2-NaphtholME7119678663C11713--
2-OxindoleIndolin-2-oneME712214321710C12312--
2-Pentyl-1,3-thiazolidine-ME712265----
2-Phenylethyl D-glucopyranoside-ME712198----
2-Phenylindole-ME71192913698---
2-Quinolinecarboxylic acidQuinaldic acidME7119067124C06325--
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...-ME711915----
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phos...-ME712233----
(2S)-2-Amino-4-hexynoic acid-ME712084----
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME712155----
(2S)-4-Acetamido-2-aminobutanoic acid-ME711947----
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic aci...(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME712122----
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6...-ME712134----
(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl...-ME71219345361701---
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid-ME711971----
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne-ME711978----
(2Z)-2-Nonenoic acid-ME712041----
(2Z,4E)-2,4-Hexadienedial-ME712356----
(2Z,4Z,6Z)-2,4,6-Nonatrienal-ME712318----
3,14-dihydro-15-keto-tetranor Prostaglandin E2-ME71242271684706---
3-[(1S)-4-Oxo-2-cyclohexen-1-yl]-L-alanine-ME712190----
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine-ME712278----
3-[2-(3-Hydroxyphenyl)ethyl]-2,5-dimethoxyphenol-ME712345----
3-[3,4-Dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]...-ME711948----
3-(3,4-dihydroxyphenyl)propanoic acid3,4-Dihydroxyhydrocinnamic acidME711819----
3-(3,5-Dimethoxyphenyl)propanoic acid-ME712288----
3-(3-methylthio)propylmalic acid-ME712396----
3,4-dehydrothiomorpholine-3-carboxylic acid-ME711911----
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methy...-ME712413----
3,4-Dimethylbenzoic acid3,4-Dimethylbenzoic acidME71219412073---
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a...-ME712075----
3,4-Methylenedioxyamphetamine3,4-MethylenedioxyamphetamineME7121231614---
3,4-Methylenesebacic acid-ME712335----
3,5-di-tert-Butyl-4-hydroxybenzoic acid-ME71231515007---
3-Amino-2-naphthoic acid-ME71238522244---
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-di...-ME711852----
3-Amino-4,7-dihydroxy-8-methylcoumarin3-Amino-4,7-dihydroxy-8-methylcoumarinME712432----
(3aS,4R,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidaz...-ME711921----
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8...-ME711990----
(3E)-2,5-Dioxo-3-hexenal-ME712080----
3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H...-ME71214310242---
3-Hydroxy-2-oxobutanoic acid-ME711897----
3-Hydroxy-3-methyl-2,3-dihydro[1,3]thiazolo[3,2-a]...-ME712043----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME71192086C00632--
3-Indoleacetamide1H-Indole-3-acetamideME712120----
3-Indoleacetonitrile3-IndoleacetonitrileME712259351795C02938--
3-Isopropenylpentanedioic acid-ME712407----
3-Mercaptohexanol-ME712152----
3-Methoxy-4-hydroxyphenylglycol glucuronide-ME711960----
3-Methylcrotonylglycine3-MethylcrotonylglycineME712208169485---
3-Methylcytosine-ME712011----
3-Methylhistidine3-MethylhistidineME711930565965---
3-(Methylthio)hexyl hexanoate-ME712261----
3-oxo-C12-HSL-ME712324----
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,...-ME712111----
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-...-ME712425----
3-Thiomorpholinecarboxylic acidThiomorpholine-3-carboxylic acidME711871----
3-Tropanol-ME712327----
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien...-ME711958----
4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-pipera...-ME712303----
4-[(3-Acetamidopropyl)amino]butanoic acidN-AcetylisoputreanineME711923----
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)...-ME712409----
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane-ME712388----
(4aS,5R,6S,8aS)-5-[(3E)-5-methoxy-3-methyl-5-oxope...-ME712325----
(4E,6E)-4,6-Tetradecadiene-8,10,12-triyn-1-yl acet...-ME712243----
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one-ME712267----
4-Guanidinobutyric acid4-Guanidinobutanoic acidME711889500C01035--
4-hydroperoxy 2-Nonenal-ME7119506435432---
4-Hydroxy-5-methylfuran-3(2H)-oneNorfuraneolME712074----
4-(Hydroxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta...-ME712349----
4-Hydroxyprolylleucine-ME712160----
4-Hydroxyprolylproline-ME711905----
4-O-(a-D-Glucopyranosyl) moranoline-ME712415----
4-Oxocyclohexanecarboxylic acid-ME712241----
4'-Phosphopantetheine-ME712323----
(4R)-5-Hydroxy-L-leucine-ME711844----
4-Vinylcyclohexene-ME712081----
(4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-...-ME712406----
5-{4-[2-(Methylamino)ethoxy]benzyl}-1,3-thiazolidi...-ME712358----
5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a...-ME7118942818477---
5,6-Dihydrothymidine5,6-DihydrothymidineME712129----
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one-ME711968----
5-Acetyl-2,4-dimethylthiazole-ME712393----
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid-ME712148----
5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLE...-ME711887----
5-Butyloxazole-ME711924----
(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-e...-ME712330----
5-Ethyl-4-hydroxy-3(2H)-furanone-ME712126----
5-Heptyl-2-oxotetrahydro-3-furancarboxylic acid-ME712127----
5-Hydantoinpropionic acid-ME712021----
5-Hydroxy-DL-tryptophan5-Hydroxy-DL-tryptophanME712051144C01017--
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME7122561826C05635--
5-Methyl-2-octyl-3(2H)-furanone-ME711859----
5-Methylcytosine5-MethylcytosineME71197265040C02376--
5-methyldeoxycytidine5-MethyldeoxycytidineME712070440055C03592--
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...-ME712135----
5-Oxonorleucine-ME711992----
(5R)-2-(3,4-Dihydroxyphenyl)-N-{3-[(3-{(Z)-[(2,3-d...-ME712279----
(5S)-5-(D-Galactopyranosyloxy)-L-lysine-ME711941----
6,15-diketo-13,14-dihydro Prostaglandin F1a-ME712402----
6-(1H-Pyrrol-1-yl)norleucine-ME712319----
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-...-ME711931----
6-APA-ME712264----
6-hydroxy-4a-(hydroxymethyl)-5-methyl-3-(prop-1-en...-ME712342----
6-Ketoprostaglandin F1a6-Keto-PGF1alphaME712054----
6-Methylnicotinamide-ME71186096351---
6-Methylquinoline6-MethylquinolineME7120527059---
6-Oxo-pipecolinic acid-ME711952----
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol-ME712350----
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,...-ME712026----
7-Mercaptoheptanoylthreonine-ME712397----
7-Methylguanine7-MethylguanineME71190111361C02242--
7-Octene-3,5-diyn-1-ol-ME712008----
8-Amino-7-oxononanoic acid8-Amino-7-oxononanoic acidME712145----
8-Azabicyclo[3.2.1]octane-1,2,7-triol-ME712232----
8-Hydroxy-2-quinolinyl beta-D-glucopyranosiduronic...-ME712382----
8-Hydroxy-5,6-octadienoic acid-ME712085----
8-(Methylsulfinyl)octyl isothiocyanate-ME712218----
9-Anthroic acid-ME711847----
9-(beta-D-Arabinofuranosyl)-2-imino-3,7,8,9-tetrah...-ME711804----
a-AspartylphenylalanineAsp-PheME712220----
AcetanilideN-AcetylarylamineME711993904C02558--
AcetophenoneAcetophenoneME7123467410C07113--
AcetylarginineN-AcetylarginineME711896102807---
Acetylhistamine-ME71196169602C05135--
ACETYL PROLINE-ME711981----
AdenineAdenineME711840190C00147--
AdenosineAdenosineME71180360961C00212--
Adenosine 3'5'-cyclic monophosphate-ME7119356076C00575--
Adenosine 5'-monophosphateAMPME7119036083C00020--
Adenosine diphosphate (ADP)-ME7119806022C00008--
Adenylsuccinic acidAdenylsuccinic acidME712046----
ala-metAla-MetME712055----
ALA-PROAla-ProME712045----
Ala-TyrAla-TyrME712086----
Alitame anhydrous-ME712377----
Alovudine-ME711994----
.alpha.-Apocholic acid-ME712364----
Andrographolide-ME7124085318517C20214--
anthramycin-ME712355----
Anthranilic acid2-Aminobenzoic acidME712035227C00108--
APM-ME712040----
apronalide-ME712421----
Arg-ArgArg-ArgME712352----
ascopyrone M-ME711806----
asn-leuAsn-LeuME712200----
asn-pheAsn-PheME712297----
asp-leuAsp-LeuME711959----
Azelaic acidAzelaic acidME7120612266C08261--
b-Angelica lactone-ME712066----
Basic Violet 1-ME712322164877---
BenzaldehydeBenzaldehydeME712137----
Benzil-ME712156----
Benzoxazolone2-BenzoxazololME711848----
Benzyl butyl phthalateBenzyl butyl phthalateME7121302347C14211--
Bethanidine-ME712304----
Bialaphos-ME7121445462314C06457--
Bis(4-ethylbenzylidene)sorbitol-ME7122129866479---
Bis(methylbenzylidene)sorbitol-ME71191490474944---
Boc-Asn-Oh-ME711877----
Boc-Asn-ONp-ME712203----
Bolandione-ME712392----
ButabarbitalButabarbitalME7124112479---
Butyl isothiocyanate-ME712251----
ButylparabenButylparabenME7121787184---
C8-HSL-ME712334----
CaffeineCaffeineME7118142519C07481--
cambendazole-ME712049----
CapryloylglycineCapryloylglycineME71231684290---
Carboprost Methyl-ME711956----
CarvoneCarvoneME7121007439---
Cefuroxime pivoxetil-ME711977----
Cervonoyl ethanolamideDihomo-gamma-linolenoyl-EAME712048----
cipamfylline-ME712269----
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dieneca...-ME712222----
cis-acetylacrylic acid-ME712197----
Clavamycin E-ME711942----
clomazone-ME71203654778C11095--
CodonopsineCodonopsineME712405----
Coproporphyrin IIICoproporphyrin IIIME711919----
CorticosteroneCorticosteroneME7119705753C02140--
CreatineCreatineME711879586C00300--
CreatinineCreatinineME711822588C00791--
Cromakalim-ME712394----
CrotamitonCrotamitonME712171688020---
CrotanecineCrotanecineME712195----
Crotonic acidCrotonic acidME712000637090C01771--
CU8460000-ME71224520525---
cuscohygrineCuscohygrineME712284----
CY9070000-ME712387----
Cyclic ADP-riboseCyclic ADP-riboseME712207123847C13050--
Cyclohexanecarboxylic acidCyclohexanecarboxylic acidME7120177413C09822--
CyclohexylamineCyclohexylamineME7118617965C00571--
CyclopamineCyclopamineME711874----
Cyclo(phenylalanyl-prolyl)-ME71210499895---
CYCLO(-SER-TYR)-ME712107----
Cyprodenate-ME711858----
Cys-proCys-ProME711833----
Cystathionine ketimineCystathionine ketimineME712016----
CysteinylglycineCys-GlyME71216665270---
cystineCystineME711917----
CytidineCytidineME7118466175C00475--
CytosineCytosineME711836597C00380--
dacisteine-ME712019----
DecanamideDecanamideME71221575347---
DesthiobiotinDethiobiotinME712424643C01909--
D-Glucose 6-phosphateGlucose 6-phosphateME7122535958C00092--
Diaminopimelic acidDiaminopimelic acidME712114865---
DicyclohexylamineN,N-DicyclohexylamineME712170----
Dicyclomine-ME7123713042C06951--
DiethanolamineDiethanolamineME711832----
DihydrothymineDihydrothymineME71188093556C00906--
Dihydroxycarbazepine-ME71222383852C07495--
Dimetridazole-ME7122313090---
DL-2-(acetylamino)-3-phenylpropanoic acid-ME712370----
DL-a-Aminocaprylic acid-ME712163----
DL-Ala-DL-Phe-ME712151----
DL-AlanineAlanineME711949602C01401--
DL-Cerulenin-ME712423----
DL-Glutamic acidGlutamic acidME711827----
DL-GlutamineGlutamineME711908738C00303--
DL-HomocysteineHomocysteineME712360778C05330--
DL-HomoserineHomoserineME712095----
DL-LysineLysineME711828866C16440--
DL-OrnithineOrnithineME712186389C01602--
DL-SerineSerineME711863617C00716--
DL-TryptophanTryptophanME7118161148C00806--
D-lysopine-ME712420----
Docosahexaenoic acid ethyl ester-ME7123219831416C16185--
D-PanthenolPantothenolME712314131204C05944--
D-PANTOTHENIC ACIDPantothenic acidME7118236613C00864--
D-(+)-Pipecolinic acidPipecolic acidME711818736316---
D-(+)-ProlineD-ProlineME7118348988C00763--
D-(+)-Pyroglutamic Acid-ME711855439685C02237--
D-SerineD-SerineME71191371077C00740--
(E,E)-2,4-Dodecadienal-ME712168----
Elaeokanine CElaeokanine CME712023----
ELK-ME711876----
ent-prostaglandin E2-ME712282----
epi-jasmonic acid-ME712109----
epsilon-Caprolactone-ME71224610401---
Eslicarbazepine acetate-ME712433----
Ethyl caproate-ME712354----
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]...-ME712351----
Ethyl N-ethylanthranilateEthyl-N-ethylanthranilic acidME712298----
FADFADME712167643975---
Fenfuram-ME71241290590C18833--
Flavin mononucleotide (FMN)FMNME712228643976C00061--
flucindole-ME712206----
fMetN-FormylmethionineME712368439750C03145--
FormylkynurenineN-Formyl-L-kynurenineME712159----
fosfocreatinine-ME712020----
fructoselysine 6-phosphateFructoselysine 6-phosphateME712301----
gamma-Aminobutyric acidgamma-Aminobutyric acidME711900119C00334--
gamma-L-glutamyl-L-tyrosine-ME712389----
gln-pheGln-PheME712283----
glu-leuGlu-LeuME712013----
Glutaric acidGlutaric acidME712053743C00489--
glu-tyrGlu-TyrME712125----
Glycylglutamic acidGly-GluME712015----
Glycyl-L-leucineGly-LeuME71203792843C02155--
Gly-l-pro-ME711989----
Gly-PheGly-PheME712124----
Golotimod-ME712191----
GuanineGuanineME711988764C00242--
GuanosineGuanosineME7118496802C00387--
GuvacolineGuvacolineME712247160492C16821--
Harmalane-ME712072----
HexadecanamidePalmitamideME71230669421---
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...-ME712410----
HexanalCaproaldehydeME712272----
Hexylbenzene-ME712209----
HIAA-ME7118391826C05635--
Hippuric acidHippuric acidME711826464C01586--
His-proHis-ProME712064----
HistamineHistamineME711995774C00388--
HomocitrullineHomocitrullineME711951----
Homo-L-arginineHomoarginineME711933----
homomethionineHomomethionineME712296----
Hopantenic acid-ME712044----
Hydroxytyrosol-ME712181----
HypoxanthineHypoxanthineME711809790C00262--
Idoxifene-ME712414----
IN00458-ME71223754682930C20414--
Indirubin-ME7122165318433---
Indole-3-acetaldehydeIndoleacetaldehydeME712106----
Indole-3-acetic acidIndoleacetic acidME711910802C00954--
Indole-3-lactic acidIndole-3-lactic acidME71242692904C02043--
INOCOTERONE ACETATE-ME712428----
InosineInosineME7118116021C00294--
Inosine-5'-monophosphate (IMP)IMPME7118668582C00130--
IPH-ME711885----
Iprofenin-ME712039----
IsoputreanineIsoputreanineME712136----
Isovalerylglutamic acid-ME712173----
ISOXYL-ME71182541648C18432--
jasminine-ME712067----
Kanosamine-ME711805164683---
KetamineKetamineME7119373821---
KetoprofenKetoprofenME7123993825C01716--
LactamideLactamideME71198494220---
L-(+)-ArginineArginineME7119286322C00062--
L-(+)-Aspartic acidAspartic acidME7118885960C00049--
L-Aspartic acidAspartic acidME7118995960C00049--
Lauramide-ME711996----
L-coprineCoprineME712312----
L-(+)-CysteineCysteineME7122215862C00097--
L-Cysteinylglycine disulfideCysteinylglycine disulfideME711979----
L-CystineCystineME71201067678C00491--
L-decyline-ME712429----
L-DopaDOPAME7121136047C00355--
lentiginosineLentiginosineME712121----
LeucylasparagineLeu-AsnME711974----
LeucylprolineLeu-ProME7119223977067---
LeucyltyrosineLeu-TyrME712347----
leu-cysLeu-CysME712292----
Leu-Gly-ProLeu-Gly-ProME712308----
Leu-LeuLeu-LeuME712161----
leu-pheLeu-PheME712059----
Leu-proLeu-ProME711934----
Leu-ValLeu-ValME711963----
LevetiracetamLevetiracetamME7123795284583---
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME711982----
L-gamma-Glutamyl-L-methionine-ME712116----
L-Glutamic acidGlutamic acidME71190433032C00025--
?-L-Glutamyl-L-glutamic acidGlu-GluME712076----
L-Glutathione oxidizedGlutathioneME71183865359C00127--
L-HistidineHistidineME7118916274C00135--
L-Hydroxyproline-ME7119325810C01157--
L-IsoleucineIsoleucineME7118136306C00407--
L-KynurenineKynurenineME711853161166C00328--
LLK-ME712395----
L-(-)-MethionineMethionineME7118206137C00073--
LNK-ME711875----
LotaustralinLotaustralinME712024----
L-PhenylalaninePhenylalanineME7118076140C00079--
L(-)-Pipecolinic acid-ME711831439227C00408--
L-pyrrolysine-ME712281----
LQ1825000-ME711975----
L-TheanineN(5)-Ethyl-glutamineME712069----
L-(-)-ThreonineThreonineME7118686288C00188--
L-TyrosineTyrosineME7118246057C00082--
L-Tyrosine methyl esterMethyl tyrosinateME71222970652C03404--
LucidulineLucidulineME712313----
LV1850000-ME712365----
(-)-LycodineLycodineME712235----
Maleamic acidMaleamateME712172----
Marimastat-ME712286----
mebutamate-ME7121106151---
mephenesin-ME712266----
meprobamateMeprobamateME7120734064---
MetalaxylMetalaxylME71231742586C10947--
metharbitalMetharbitalME7121644099---
Methionyl-4-hydroxyproline-ME712112----
MethotrexateMethotrexateME712294126941C01937--
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2...-ME712239----
Methyl alpha-aspartylphenylalaninate-ME711966----
MethylhistamineMethylhistamineME711983912---
Methyl indole-3-acetateIndole-3-methyl acetateME71218774706C20635--
Methylone-ME71198545789647C20126--
methyprylonMethyprylonME7123984162---
met-proMet-ProME712285----
met-tyrMet-TyrME712289----
MFCD00010610-ME712257----
MFCD00025555-ME712250----
MFCD00041932-ME712189----
MFCD00070502-ME712157----
MFCD01318772-ME712180----
MHPGVanylglycolME712380----
ML-236CML 236CME712366----
MO4650000-ME7120877823C20334--
Monobutyl phthalateMonobutylphthalateME7121628575---
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)ace...-ME712427----
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-...-ME71219945361679---
N~2~-Acetyl-L-ornithineN-AcetylornithineME712012----
N-(2-Amino-3-methylbutanoyl)glutamine-ME711964----
N-(2-Amino-4-methylpentanoyl)glutamine-ME712108----
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzamide-ME712003----
N-(2-Hydroxyethyl)glutamine-ME712179----
N-(2-Methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)pyr...-ME712101----
N-[(2S)-2-Hydroxypropanoyl]methionine-ME712331----
N-(3,4-Dihydroxyphenyl)glutamine-ME711881----
N-(3-acetamidopropyl)pyrrolidin-2-oneAcisogaME712204----
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-morpholino...-ME712176----
N4-AcetylcytidineN4-AcetylcytidineME712225----
N6-Me-AdenosineN6-MethyladenosineME7119461869---
N-AcetylhistamineN-AcetylhistamineME71198669602C05135--
N-Acetyl-L-cysteineN-AcetylcysteineME71192712035---
N-acetyl-LL-2,6-diaminopimelic acid-ME711954----
N-Acetyl-L-leucineN-AcetylleucineME71226070912C02710--
N-Acetylnorvaline-ME711999306106---
N-AcetylserotoninN-AcetylserotoninME712258903C00978--
N-AcetylvalineN-AcetylvalineME712131227752---
N-AcetylvanilalanineN-AcetylvanilalanineME712290----
NadololNadololME71207739147---
N(alpha)-gamma-L-glutamylhistamineN(alpha)-gamma-GlutamylhistamineME711909----
N-(Carboxyacetyl)phenylalanine-ME712249----
N-(Carboxymethyl)norleucine-ME711962----
Ne-AcetyllysineN6-AcetyllysineME71200292832C02727--
NicotinamideNiacinamideME711810936C00153--
NitrendipineNitrendipineME7122934507C07713--
Nitrosoguvacoline-ME712419----
N-lauroylglycineNAGly 12:0ME712213----
(+)-N-Methylconiine-ME712030----
N-MethylhexanamideN-Methyl hexanamideME712328----
N-Methylhistamine1-MethylhistamineME711965912---
N,N-Diethylethanolamine-ME7118907497---
N,N-dimethylarginineDimethylarginineME711893----
N-NonanoylglycineN-NonanoylglycineME712091----
Norketamine-ME712219123767---
Northienamycin-ME712391----
NP-001346-ME711884----
NP-003399-ME712094----
NP-011220-ME712201----
NP-013176-ME712098----
NP-013663-ME712138----
NP-016455-ME712302----
NP-017061-ME712357----
NP-018716-ME712211----
NP-020014-ME712268----
NP-020078-ME712217----
NP-021797-ME712119----
N-Phenylacetylglutamine-ME71240392258C04148--
N-Propionylmethionine-ME712435----
n-RibosylhistidineN-RibosylhistidineME711912----
NS1800000-ME7121856723C00847--
N-StearoyltyrosineN-Stearoyl tyrosineME711864----
N-Succinyl-L-diaminopimelic acidN-Succinyl-L,L-2,6-diaminopimelateME711882----
N-(tert-Butoxycarbonyl)-L-leucine-ME711835----
N-Tridecanoylglycine-ME712047----
N-UndecanoylglycineN-UndecanoylglycineME711843----
Nupharidine-ME712079----
nylon cyclic dimer-ME712082----
O-(3-Carboxypropanoyl)homoserine-ME711869----
Octodrine-ME71210510982---
OleamideOleamideME7120285283387C19670--
Olodaterol-ME712276----
ophthalmic acidOphthalmic acidME711870----
OtonecineOtonecineME712096----
OxcarbazepineOxcarbazepineME71233734312C07492--
OxindoleIndolin-2-oneME712280321710C12312--
oxiracetam-ME712006----
Palmitic AcidPalmitic acidME711976----
Palmitoleic acidPalmitoleic acidME712307445638C08362--
Panthenyl ethyl ether-ME711907----
Papaverine-ME7122364680C06533--
PEG-4-ME711925----
PEG n5Pentaethylene glycolME71223462551---
PEG n6-ME71216517472---
PEG n7-ME71209279718---
PEG n8-ME71206878798---
pentahomomethioninePentahomomethionineME711943----
pentobarbitalPentobarbitalME7120634737---
PENTOTHAL-ME7121033000715C07521--
Perazine-ME7120604744---
PhenylacetylglycinePhenylacetylglycineME71185168144C05598--
PhenylalanylprolinePhe-ProME712128----
PhenytoinPhenytoinME712102----
PhloretinPhloretinME7119404788C00774--
Pholcodine-ME7119555311356---
Phthalic acidPhthalic acidME7118151017C01606--
Pipecolic acidPipecolic acidME711830849---
PiracetamPiracetamME7124004843---
porfiromycin-ME712434----
PPG n5-ME7121929836244---
Pramiracetam-ME712329----
Prenisteine-ME712029----
Pro-Hyp-ME712291----
ProlineProlineME712140145742C00148--
pro-metPro-MetME711854----
Pro-ProPro-ProME711991----
PropylparabenPropylparabenME7122747175---
Prostaglandin A2PGA2ME712367----
Prostaglandin E2PGE2ME711944----
Prostaglandin F2?-ME712341----
Prostaglandin J2PGJ2ME7120345280884---
Pro-tyrPro-TyrME712042----
PS(16:0/16:1(9Z))PS 16:0/16:1(9Z)ME712287----
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME7120381051C00018--
PYRIDOXAMINEPyridoxamineME7122441052C00534--
Pyridoxamine 5'-phospate-ME7121461053C00647--
Pyrone-ME712238----
QS4476500-ME711845----
QV1MVO1R-ME711973----
(R)-3-Hydroxy myristic acid-ME7123535288266---
(+)-RiboflavinRiboflavinME712348----
riboflavin cyclic 4',5'-phosphate-ME711987----
RimantadineRimantadineME7122755071C07236--
R-Soterenol-ME712369----
S-3-oxodecanoyl cysteamine-ME711856----
S-AdenosylhomocysteineS-AdenosylhomocysteineME711821439155C00021--
Salicylaldehyde2-HydroxybenzaldehydeME712417----
S-Allyl-L-cysteineS-AllylcysteineME711829----
S-Benzyl-D-cysteine-ME712363----
Sebacic acidSebacic acidME7121695192C08277--
Selexipag-ME712271----
Ser-metSer-MetME712333----
ser-trpSer-TrpME712418----
Shogaol-ME7122485281794C10494--
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamot...-ME712071----
Sodium [dodecanoyl(methyl)amino]acetate-ME712147----
Sorbic acidSorbic acidME712416643460---
spermidineSpermidineME7123401102C00315--
SSR161421-ME71222710201497---
StyreneStyreneME712339----
Suberic acidSuberic acidME71200910457C08278--
Succinic anhydrideSuccinic anhydrideME711936----
SuccinylacetoneSuccinylacetoneME712058----
SuccinyladenosineSuccinyladenosineME711945----
Sulcatol(R)-SulcatolME71218320745C07288--
TaurineTaurineME7119181123C00245--
Taurocholic acidTaurocholic acidME7123866675---
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carb...-ME7119532818159---
TetraacetylethylenediamineTetraacetylethylenediamineME712022----
Tetramethylurea-ME712240----
TheophyllineTheophyllineME7123782153C07130--
ThiorphanThiorphanME711957----
thiouridine-ME712154----
thr-proThr-ProME712115----
ThymidineThymidineME7123095789C00214--
ThymineThymineME7120931135C00178--
Timonacic-ME711939----
tioxidazole-ME712430----
TKK-ME711895----
trans-3-Hexenoic acid-ME7118655282708---
tricholomic acidTricholomic acidME712078----
Triethylene glycol monobutyl ether-ME7119988923---
trihomomethionineTrihomomethionineME712210----
trilobolide-ME712001----
Trimethylenetetraurea-ME712004----
Triphenyl phosphateTriphenyl phosphateME7123758289C14235--
Tris(2-chloroethyl) phosphate-ME7120978295C14445--
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME711926----
TroxipideTroxipideME712149----
TyramineTyramineME7123615610C00483--
UNII:R3KSN48ZFJ-ME712007----
UracilUracilME7118421174C00106--
ureidohomoserine-ME712177----
Ureidopropionic acidUreidopropionic acidME712056111C02642--
Uric acidUric acidME7119021175C00366--
Urocanic acidUrocanic acidME711969736715C00785--
UV9702000-ME71217588747---
val-asnVal-AsnME712090----
Val-LeuVal-LeuME712005----
val-pheVal-PheME712343----
Val-proVal-ProME712326----
Val-SerVal-SerME712032----
ValylvalineVal-ValME712305----
VanillinVanillinME712242----
Veliparib-ME712359----
Veronal5,5-Diethylbarbituric acidME7120652294---
vinylglycine-ME711883----
XanthineXanthineME7118171188C00385--
XT2570000-ME712062----
ZalcitabineZalcitabineME71189824066C07207--
Zipeprol-ME712299----


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-ME7126535312738---
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME71269074300C02774--
10-oxocapric acid-ME712537----
(+/-)11(12)-EET11,12-EpETrEME71269240490664---
(+/-)12(13)-DiHOME12,13-DiHOMEME71269510236635---
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME71268479034C08317--
12-Hydroxylauric acid12-Hydroxy lauric acidME71268079034C08317--
13,14-Dihydro-15-keto Prostaglandin J2-ME712711----
1,4-Bis(2-ethylhexyl) sulfosuccinate2-MethylacetophenoneME712501----
(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid-ME71269324066906---
16-Hydroxyhexadecanoic acidJuniperic acidME71267110466C18218--
?17-6-keto prostaglandin F1a-ME712661----
1-nonanoic acid-ME7126308158C01601--
1-O-Phosphonopentitol-ME712480----
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol-ME712513----
2,3,4,5-Tetrahydroxypentanal-ME712594----
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]...-ME712686----
(2,4-Dihydroxyphenyl)(oxo)acetic acid-ME712673----
2,5-di-tert-Butylhydroquinone-ME7125122374---
2,6-Dideoxy-3-O-methyl-L-arabino-hexopyranose-ME712651----
2-(acetylamino)-4-(methylthio)butanoic acid-ME712548----
2-(Acetylamino)hexanoic acid-ME712615306142---
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME712611----
2-Aminooctanedioic acid-ME71263977937---
(2E)-3-[4-(Sulfooxy)phenyl]acrylic acid-ME712489----
2-Ethylglutaric acid-ME712600----
2-Hydroxy-1,2-diphenylethyl hydrogen sulfate-ME712506----
2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside-ME712710----
2-Hydroxy-4-(4-hydroxyphenyl)butanoic acid-ME71270017760167---
2-Hydroxy-4-(7-hydroxy-3,5-dimethoxy-4-oxo-4H-chro...-ME712679----
2-Hydroxy-6-methoxy-4-vinylphenyl hydrogen sulfate-ME712605----
(+/-)-2-Hydroxyglutaric acid2-Hydroxyglutaric acidME712534----
2-Hydroxyhippuric acidSalicyluric acidME71262610253C07588--
2-Hydroxymyristic acid2-Hydroxymyristic acidME7126441563---
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME71251911970C05852--
2-Keto-glutaramic acid2-Keto-glutaramic acidME712567----
2-Methyl-4-oxopentanedioic acid-ME712484----
2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitr...-ME7126982820809---
2-Naphthalenesulfonic acid-ME7126348420C16202--
(2R)-2,3-Dihydroxypropanoic acidGlyceric acidME712514439194C00258--
(2R,3S)-3-isopropylmalic acid-ME712637----
(2S)-2-Amino-8-oxodecanoic acid-ME712629----
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine-ME712669----
3-(3,4-Dihydroxyphenyl)-2-(sulfooxy)propanoic acid-ME712566----
3,3-Dimethylglutaric acid-ME71252420984---
3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-py...-ME712569----
3,4-Dimethylbenzoic acid3,4-Dimethylbenzoic acidME71254412073---
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...-ME712587----
3-amino-2,3-dideoxy-scyllo-inosose3-Amino-2,3-dideoxy-scyllo-inososeME712532----
(3E)-3-Octenedioic acid-ME712542----
3-Hydroxynonanoic acid-ME712656----
3-Hydroxysebacic acid3-Hydroxysebacic acidME712539----
3-Hydroxysuberic acid3-Hydroxysuberic acidME712708----
3-Methyladipic acid3-Methyladipic acidME71250812292---
3-Methylazelaic acid-ME712620----
3-Methylglutarate-ME71255312284---
3-Methylglutaric acidMethylglutaric acidME71248512284---
3-oxolauric acid-ME712718----
3-Oxooctanoic acid-ME712564----
3-oxopalmitic acid-ME712697----
3-Phenyllactic acidPhenyllactic acidME7126173848C05607--
(3S,9aS)-3-(1H-Imidazol-5-ylmethyl)tetrahydro-2H-p...-ME712722----
3-tert-Butyladipic acidSebacic acidME71252698967---
4-(2-Aminophenyl)-2,4-dioxobutanoic acid4-(2-Aminophenyl)-2,4-dioxobutanoic acidME712717----
4,5-dioxovaleric acid-ME712502----
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME71244019266---
4-ACETAMIDOBUTYRIC ACID4-Acetamidobutanoic acidME71264518189C02946--
4-Amino-4-deoxypentopyranose-ME712555----
4-Ethyl-2,6-dihydroxyphenyl hydrogen sulfate-ME712696----
[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid-ME712590----
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME712443126C00633--
4-(Hydroxymethyl)benzenesulfonic acid-ME712488----
4-IMIDAZOLEPYRAVIC ACID-ME712608----
4-(octyloxy)benzoic acid-ME712576----
4-Oxoproline4-Oxo-prolineME712441413589C01877--
4-Pyridoxic acid4-Pyridoxic acidME7125916723C00847--
(4R)-5-Hydroxy-L-leucine-ME712622----
4-Toluic acid-ME7125977470C01454--
5-(1,2-Dihydroxy-2-propanyl)-2-methyl-1,3-cyclohex...-ME712723----
5-[({(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyraz...-ME71267240779355---
5-Aminovaleric acid5-Aminopentanoic acidME712516138C00431--
5-Hydantoinpropionic acid-ME712559----
5-Hydroxyvalproic acid-ME712631----
5-OxoETE5-Oxo-ETEME7126855283159---
(5Z,8Z)-5,8-Tetradecadienoic acid-ME712660----
6-(5-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)norleu...-ME712687----
6-[(6-Aminohexanoyl)amino]hexanoic acid-ME712706----
6-Deoxy-D-arabino-hexos-2-ulose-ME712491----
(+)-[6]-GingerolGingerolME712483442793C10462--
6-Hydroxycaproic acid6-Hydroxycaproic acidME71257414490C06103--
6-Ketoprostaglandin F1a6-Keto-PGF1alphaME712540----
6-Oxohexanoic acid-ME712535----
8-(5-Pentyl-2-furyl)octanoic acid-ME712635----
8-Amino-7-oxononanoic acid8-Amino-7-oxononanoic acidME712592----
8-Iso-15-keto-prostaglandin-F2ß-ME712607----
8(S)-Hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoic acid8S-HETEME7126815283154C14776--
9-Oxononanoic acid9-Oxo-nonanoic acidME712482----
a,a-TrehaloseTrehaloseME712527----
(Ac)2-L-Lys-D-Ala(Ac)2-L-Lys-D-AlaME712643----
AcamprosateAcamprosateME71266471158---
AceglutamideN-Acetylglutamic acidME712606182230---
AdenosineAdenosineME71244960961C00212--
Adenosine 3'5'-cyclic monophosphate-ME7125156076C00575--
Adenosine diphosphateADPME7124766022C00008--
Adenylsuccinic acidAdenylsuccinic acidME712487----
alpha-Ketoglutaric acid2-Oxoglutaric acidME71245451C00026--
Aminohippuric acidAminohippuric acidME7125892148---
ANISURIC ACID-ME712525----
anticapsin-ME712677----
Arachidonic acidArachidonic acidME712458444899C00219--
asn-valAsn-ValME712612----
asp-asnAsp-AsnME712541----
asp-cysAsp-CysME712713----
asp-ileAsp-IleME712627----
asp-leuAsp-LeuME712657----
Avenein-ME712561----
Azelaic acidAzelaic acidME7124772266C08261--
Benzoic acidBenzoic acidME712565243C00180--
BergeninBergeninME712618----
ButabarbitalButabarbitalME7124512479---
Caprylic acidCaprylic acidME712588379C06423--
CapryloylglycineCapryloylglycineME71258484290---
CAPSO-ME7125602733480---
Cholic acidCholic acidME712568221493C00695--
cis-4-Decenedioic acid4Z-Decenedioic acidME712619----
cis-4-Octenedioic acid-ME712667----
cis-5,8,11,14,17-Eicosapentaenoic acidEPAME712601----
Citric acidCitric acidME712452311C00158--
Cladinose-ME712704----
CreatineCreatineME712546586C00300--
cyclo-Dopa 5-O-glucosidecyclo-Dopa 5-O-glucosideME712595----
Cysteine-glutathione disulfideS-Glutathionyl-cysteineME712585----
D-4-PHOSPHOERYTHRONIC ACID-ME712593----
D-a-Hydroxyglutaric acid-ME712471----
D-Alanyl-D-alanineD-Alanyl-D-AlanineME7126405460362C00993--
Decanoic acidCapric acidME7125982969C01571--
D-(-)-FructoseFructoseME712460439709C02336--
D-Gluconic acidGluconic acidME71253610690C08038--
d-Gluconic acid d-lactone-ME712494----
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME712688439217C00352--
D-Glucose 6-phosphateGlucose 6-phosphateME7124925958C00092--
DiacetylDiacetylME712562650C00741--
dihydroxyphenylalanineDOPAME712665----
DL-4-Hydroxyphenyllactic acidHydroxyphenyllactic acidME7125829378C03672--
DL-AlanineAlanineME712552602C01401--
DL-Cerulenin-ME712716----
DL-GlutamineGlutamineME712467738C00303--
DL-LysineLysineME712551866C16440--
DL-Malic acidMalic acidME712456525C00711--
DL-Mevalonic acid-ME712604449---
DL-ß-LeucineLeucineME712447----
Docosahexaenoic AcidDocosahexaenoic acidME712531----
Docosapentaenoic acidDocosapentaenoic acidME7126135497182C16513--
Dodecanedioic acidDodecanedioic acidME71260212736C02678--
Dodecyl sulfateBlasticidin SME7124388778C08031--
D-PANTOTHENIC ACIDPantothenic acidME7127036613C00864--
d-Ribono-1,4-lactone-ME712466----
D-Ribulose 5-phosphateRibulose 5-phosphateME712510439184C00199--
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME71255422833559---
D-(+)-TryptophanD-TryptophanME7124539060C00525--
D-Xylonic acidXylonic acidME712496----
D-Xylulosonic acid-ME712621----
(E)-Aconitic Acid-ME712473444212C02341--
ent-Prostaglandin F2a-ME712632----
Erythrose, 4-phosphate-ME712493----
Ethyl 3-hydroxybutyrate-ME71257562572---
Ferulic acid 4-sulfateFerulic acid 4-sulfateME712517----
Flavin mononucleotide (FMN)FMNME712563643976C00061--
Galacturonic acidGalacturonic acidME71250384740---
gamma-Glutamyl-N~5~-acetylornithine-ME712623----
Glu-GluGlu-GluME712603----
glu-leuGlu-LeuME712649----
glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME712511----
Glycerol 3-phosphatesn-Glycero-3-phosphateME712457754C03189--
Glycyl-L-leucineGly-LeuME71265892843C02155--
Gly-PheGly-PheME712709----
guaiacol sulfateGuaiacol sulfateME712577----
GuanosineGuanosineME7124816802C00387--
Hexadecanedioic acidHexadecanedioic acidME71270210459C19615--
Hexanoic acidCaproic acidME7125838892C01585--
HexitolSorbitolME712530----
his-aspHis-AspME712495----
Homovanillic acidHomovanillic acidME7126701738C05582--
Homovanillic acid sulfate-ME712662----
HydrochlorothiazideHydrochlorothiazideME7124593639---
hydroxycitric acidGarcinia acidME712572----
γ-Glutamyl phosphate-ME712538----
α-Isopropylmalate-ME71255077---
Imidazolelactic acidImidazolelactic acidME712571459122---
Imino(methyl)phenyl-lambda~4~-sulfane 2,4,6-trimet...-ME712499----
Indole-3-lactic acidIndole-3-lactic acidME71265992904C02043--
IpA-ME712599----
Isophthalic acid-ME7124368496---
Isovalerylglutamic acid-ME712581----
L-alpha-Aspartyl-L-phenylalanine-ME71270793078---
L-(+)-Aspartic acidAspartic acidME7124505960C00049--
Lauric acidLauric acidME7126543893C02679--
L-Cysteinylglycine disulfideCysteinylglycine disulfideME712570----
L-decyline-ME712705----
LeucyltyrosineLeu-TyrME712715----
Leu-LeuLeu-LeuME712699----
leu-pheLeu-PheME712668----
Leu-ValLeu-ValME712642----
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME712666----
L-Glutamic acidGlutamic acidME71244433032C00025--
L-Glutathione oxidizedGlutathioneME71249865359C00127--
L-HistidineHistidineME7125056274C00135--
Limaprost-ME712720----
Linoleic acidLinoleic acidME7124705280450C01595--
L-(+)-Lactic acidLactic acidME712437107689C00186--
L-PhenylalaninePhenylalanineME7124456140C00079--
LT9970000-ME71262443359C18912--
L-(+)-Tartaric acidTartaric acidME712464444305---
L-Threonic acidThreonic acidME7124655460407C01620--
L-TyrosineTyrosineME7124746057C00082--
MBPMonobutylphthalateME7126788575---
Mesaconic acidMesaconic acidME712469638129C01732--
Methylmalonic acidMethylmalonic acidME712442487C02170--
Methyl salicylate-ME7126764133---
Methylsuccinic acidMethylsuccinic acidME71246810349---
MFCD00070502-ME712663----
MFCD00137562-ME712682----
MFCD12546417-ME712628189003C06674--
Monobutyl phthalateMonobutylphthalateME7125478575---
Myristic acidMyristic acidME71264811005---
Myristyl sulfate-ME7124465248---
Myrmicacin-ME71263626612---
N-(3-Carboxypropyl)glutamine-ME712543----
N-AcetylalanineN-AcetylalanineME71252388064---
N-Acetyldemethylphosphinothricin tripeptide-ME712521----
N-Acetyl-L-cysteineN-AcetylcysteineME71271212035---
N-AcetylleucylleucineN-Acetyl-leucyl-leucineME712616----
N-Acetyl-L-leucineN-AcetylleucineME71267470912C02710--
N-Acetylnorvaline-ME712641306106---
N-Arachidonoyl taurineN-Arachidonoyl taurineME71254542607331---
n-Butyl lactate-ME712573----
Ne-AcetyllysineN6-AcetyllysineME71263392832C02727--
N-feruloylglycineN-FeruloylglycineME712609----
n-heptanoic acidHeptylic acidME7126478094C17714--
N-IsovalerylglycineIsovalerylglycineME712549546304---
N-MethylglutamateN-Methyl-glutamic acidME712522----
N-NonanoylglycineN-NonanoylglycineME712580----
Nonanoic acidPelargonic acidME7125078158C01601--
NP-001134-ME712490----
NP-002089-ME712650----
NP-008309-ME712683----
NP-016102-ME712504----
NP-018661-ME712520----
NP-018716-ME712557----
N-Phenylacetylglutamic acidN-Phenylacetylglutamic acidME712721----
N-Phenylacetylglutamine-ME71271492258C04148--
N-Succinyl-L-diaminopimelic acidN-Succinyl-L,L-2,6-diaminopimelateME712509----
N-(tert-Butoxycarbonyl)-L-leucine-ME712596----
N-Tridecanoylglycine-ME712579----
N-UndecanoylglycineN-UndecanoylglycineME712455----
ophthalmic acidOphthalmic acidME712518----
Palmitic acidPalmitic acidME712478985---
Palmitoleic AcidPalmitoleic acidME712675----
pentahomomethioninePentahomomethionineME712652----
PhenylacetylglycinePhenylacetylglycineME71244868144C05598--
PHENYLBUTYRIC ACIDPhenylbutyric acidME7125584775---
phosphopantothenic acid-ME712614----
porphobilinogenPorphobilinogenME7125861021C00931--
PropylparabenPropylparabenME7126947175---
Prostaglandin B1PGB1ME7127015280388C00959--
Prostaglandin E2PGE2ME712497----
Prostaglandin F3aPGF3alphaME712556----
Prostaglandin K1PGK1ME71261016061102---
Pyruvic acidPyruvic acidME7124631060C00022--
Resolvin E1Resolvin E1ME71262510473088---
RH0365500-ME71268969522---
Salicylic acidSalicylic acidME712529338C00805--
sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME712646----
Spaglumic acidN-Acetyl-Asp-GluME7124725255C12270--
Suberic acidSuberic acidME71246210457C08278--
SuccinylacetoneSuccinylacetoneME712479----
SuccinyladenosineSuccinyladenosineME712533----
Sulfosalicylic AcidSulfosalicylic acidME7125007322---
Sulfuric acid-ME712475----
TaurineTaurineME7124391123C00245--
Tetradecanedioic acidTetradecanedioic acidME71265513185---
THREONIC ACID, L--ME712461----
ThreonylleucineThr-LeuME712719----
Traumatic AcidTraumatic acidME712528----
trp-gluTrp-GluME712691----
Val-LeuVal-LeuME712638----
Vitamin CVitamin CME712486----
Z-Maleylacetic acid-ME712578----


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
(+/-)11(12)-EET11,12-EpETrEME71305840490664---
1,1,6-Trimethyl-1,2-dihydronaphthalene-ME712884----
11-Aminoundecanoic acid11-Aminoundecanoic acidME712784----
11-Nitro-1-undecene-ME713023----
1-(1Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-pho...-ME712755----
1,2,3,4-Tetramethyl-1,3-cyclopentadiene-ME713045138163---
1,2,4-Butanetriol2-DeoxyerythritolME712890----
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethyletha...-ME712843----
1,3,5-Heptatriene-ME713077----
1-(3-Amino-2,3-dideoxypentofuranosyl)-5-methyl-2,4...-ME712891----
1,4-Nonanediol diacetate-ME712965----
1-(5-Amino-5-carboxypentyl)-5-oxoproline-ME712961----
1-{[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,5,6,...-ME713081----
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate-ME712972----
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracy...-ME713091----
(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-tr...-ME712728----
1-arachidonoyl-sn-glycero-3-phosphoethanolamineLPE 20:4/0:0ME712809----
(1E)-N-Hydroxy-4-(methylsulfanyl)-1-butanimine-ME713168----
1-Hexadecanoylpyrrolidine-ME713038----
1-Linoleoyl glycerolMG 18:2ME7130695283469---
1-Methyladenine1-MethyladenineME71310778821C02216--
1-Methylhistidine1-MethylhistidineME712740352019---
1-Methylimidazoleacetic acid-ME71282075810C05828--
1-Nitrosonaphthalene-ME713150----
1-Piperideine1-PiperideineME713112----
(1R,2R,6R,9R)-2,11,11-trimethyl-3-oxotricyclo[4.3....-ME713106----
2,2,6,6-Tetramethyl-4-piperidinol-ME71281275471---
2-(2-Ethoxyethoxy)ethanol-ME713029----
2,2'-Iminodipropan-1-ol-ME712735----
2,3-Dihydroxybutanamide-ME712991----
2-(3-phenylpropyl)oxolane-ME712828----
2,4,5-Trimethoxybenzaldehyde-ME71315720525---
2,4,6-Octatriyn-1-ol-ME713103----
2,6-Diamino-4-hexenoic acid-ME712852----
2,6-Dimethylpyrazine-ME7127457938---
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME713198----
2-Amino-3-methoxybenzoic acid3-Methoxyanthranilic acidME713024255720C05831--
2-Amino-4-[(4-aminobutyl)amino]butanoic acid-ME712877----
2-Amino-4-methylpyrimidine-ME712935----
2-Arachidonoyl glycerolMG 20:4ME7129585282280C13856--
2-Butenedioic acid (2Z)-, dioctyl ester-ME713084----
2'-DeoxyadenosineDeoxyadenosineME71308613730C00559--
2'-DeoxycytidineDeoxycytidineME712762----
2-(Diethoxymethyl)furan-ME712793----
2-(Diethylamino)ethanol-ME7129637497---
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine-ME712914----
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde-ME713120----
(2E)-3-(Carbamimidoylsulfanyl)acrylic acid-ME712978----
(2E,4Z,12E)-1-(1-Piperidinyl)-2,4,12-octadecatrien...-ME712819----
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide-ME713110----
2-Hydroxy-N-(2-hydroxyethyl)propionamide-ME713066----
2-Isobutyl-3-methylpyrazine-ME713053----
2-methoxyacetaminophen sulfate2-Methoxyacetaminophen sulfateME713200----
2-OxindoleIndolin-2-oneME713050321710C12312--
2-Quinolinecarboxylic acidQuinaldic acidME7128887124C06325--
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...-ME712764----
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octa...-ME712900----
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenyletho...-ME713163----
(2S)-2-({[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxyme...-ME713060----
(2S)-2-Amino-4-hexynoic acid-ME713158----
(2S)-2-Amino-8-hydroxyoctanoic acid-ME712952----
(2S)-2-Piperazinecarboxamide-ME713008----
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-...-ME713043----
(2S)-4-Acetamido-2-aminobutanoic acid-ME713083----
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid-ME712851----
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine-ME713078----
3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethy...-ME713032----
3-(3,4-dihydroxyphenyl)propanoic acid3,4-Dihydroxyhydrocinnamic acidME712858----
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methy...-ME713021----
3-Acetyl-2,7-naphthyridine-ME712761----
3-Aminosalicylic acid3-Aminosalicylic acidME71298768443---
3-Benzoyl-1-[4-(trifluoromethyl)phenyl]-1,4-dihydr...-ME7129422745060---
(3beta,14beta,25R)-Cholesta-5,8-diene-3,26-diol-ME712835----
(3beta)-20-Oxopregna-5,7,9(11)-triene-3,21-diyl di...-ME713092----
(3beta,4alpha,5alpha)-3-Hydroxy-4,14-dimethylchole...-ME712854----
3-Buten-1-amine3-Buten-1-amineME712946----
3-(Butylsulfinyl)-L-alanin-ME713206----
3-dehydrosphingosine-ME713167----
3-Ethylphenol-ME712955----
3-Hydroxy-2,4,5-pyridinetrimethanol-ME713074----
3-Hydroxy-5-methoxy-6-methyl-2,3-dihydro-4H-pyran-...-ME713194----
3-Hydroxypyridine3-HydroxypyridineME7132137971---
3-Hydroxytridecanoic acid-ME712945----
3-Methyl-1-phenyl-2-butene-ME713140----
3-Methylcrotonylglycine3-MethylcrotonylglycineME712839169485---
3-Methylcyclohexanethiol-ME713049----
3-Methylcyclopentene-ME712775----
3-Methylsulfolene-ME712749----
{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}a...-ME713160----
(3R,6aR,7S,12aS)-5,6,6a,7,8-pentahydroxy-3-methyl-...-ME712800----
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-...-ME713134----
3-Thiomorpholinecarboxylic acidThiomorpholine-3-carboxylic acidME712927----
3-Ureidopropionic acidUreidopropionic acidME713193111C02642--
(3Z)-3-Methyl-3-decenoic acid-ME712779----
4-[(3-Acetamidopropyl)amino]butanoic acidN-AcetylisoputreanineME712923----
4,4'-Bipyridine-ME713080----
4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile-ME712929----
4,6-Dimethyl-2(1H)-pyrimidinone-ME7130099508---
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME71295718189C02946--
4-Amino-DL-phenylalanine-ME713208----
(4E)-2-Amino-3-oxo-4-nonenoic acid-ME713037----
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME712973126C00633--
4-Hydroxyprolylleucine-ME713028----
4-IndolecarbaldehydeIndole-4-carboxaldehydeME713031333703---
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane-ME713018----
4-Methyleneglutamine4-Methylene-glutamineME712861----
4-Pyridineacetic acid-ME71281634228---
(4R,5R)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)-2-c...-ME713222----
4-(Stearoylamino)butanoic acid-ME712934----
4-Sulfanyldihydro-3(2H)-furanone-ME712994----
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one-ME712769----
5-Butyloxazole-ME712847----
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME7128041826C05635--
5-Methyl-2-octyl-3(2H)-furanone-ME712778----
5-Methylcytidine5-MethylcytidineME712848----
5-Methylcytosine5-MethylcytosineME71290865040C02376--
5-methylthioribose5-MethylthioriboseME713011----
5(S)-HpEPE5S-HpEPEME7130255283194---
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norle...-ME713109----
6-Amino-1,3-dimethyluracil-ME71291181152---
6-Aminonicotinic acid-ME71289318496---
6-keto Prostaglandin F1?-ME713046----
6-Methoxyquinoline6-MethoxyquinolineME71291214860---
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol-ME712803----
6-Methylnicotinamide-ME71272996351---
6-Methylquinoline6-MethylquinolineME7127837059---
6-Oxo-pipecolinic acid-ME713016----
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol-ME713119----
7,8-Bis(hydroxymethyl)-1,4a-dimethyl-3,4,4a,5,6,7-...-ME71294145359408---
7,8-Dihydrobiopterin7,8-DihydrobiopterinME712901252C02953--
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benz...-ME713117----
7-Mercaptoheptanoylthreonine-ME713183----
7-Methylguanine7-MethylguanineME71287611361C02242--
7-(tert-butyl)-4-imino-1,2,3,4,5,6-hexahydropyrido...-ME712818----
8-Azabicyclo[3.2.1]octan-3-ol-ME712986----
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol-ME713115----
8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol-ME713145----
(+/-)8-HEPE8-HEPEME71306316061128---
8-HydroxyquinolineQuinolin-8-olME7130521923C19434--
9-Nitrooleate9-Nitrooleic acidME71320411645581---
9-Oxohexadecanoic acid-ME712962----
(9R)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-...-ME712866----
(9Z)-9-OctadecenamideOleamideME7131275283387C19670--
AceglutamideN-Acetylglutamic acidME713030182230---
Acetoacetanilide-ME7129447592---
acetoacetic acidAcetoacetic acidME712980----
Acetohydroxamic acidAcetohydroxamic acidME7127941990C06808--
AcetophenoneAcetophenoneME7128757410C07113--
AcetylarginineN-AcetylarginineME712799102807---
ACETYL PROLINE-ME713042----
acetyltaurine-ME713174----
AdenineAdenineME712792190C00147--
AdenosineAdenosineME71273760961C00212--
Adenosine 5'-monophosphateAMPME7128596083C00020--
afegostat-ME713039----
a-Lactose-ME712964----
ala-cysAla-CysME713010----
ALA-PROAla-ProME713114----
Allantoic acidAllantoic acidME713210----
AllantoinAllantoinME712841----
.alpha.-Aminoadipic acidalpha-Aminoadipic acidME712725469---
alpha-methylstyrene-ME713073----
Alvameline-ME713026----
Aminohippuric acidAminohippuric acidME7131592148---
Amorolfine-ME713133----
AnserineAnserineME713100112072C01262--
apronalide-ME713094----
AsparagineAsparagineME7128306267C00152--
Basic Violet 1-ME713129164877---
Benzoxazolone2-BenzoxazololME712774----
Benzoyl-y-tropeine-ME713054----
Benzyl butyl phthalateBenzyl butyl phthalateME7128682347C14211--
BenzylideneacetoneBenzylideneacetoneME713015637759---
Betahistine-ME7131352366---
Bethanidine-ME713022----
biotinamideBiotin amideME712862----
Bis(2-ethylhexyl) amine-ME7131807791---
Bis(2-ethylhexyl) phthalateBis(2-ethylhexyl)phthalateME7128298343---
Bis(3,5,5-trimethylhexyl) phthalate-ME713041----
Bis(methylbenzylidene)sorbitol-ME71278790474944---
butalbitalButalbitalME7129972481---
butoctamide-ME712932----
C16 Lactosylceramide (d18:1/16:0)-ME712918----
C8-HSL-ME713185----
CadaverineCadaverineME713090----
CaffeineCaffeineME7127702519C07481--
capuride-ME713085----
CarbocysteineS-Carboxymethyl-cysteineME7129891080---
Carbutamide-ME7130139564---
(+)-castanospermineCastanospermineME713034----
ChlorhexidineChlorhexidineME7129159552079C06902--
CI-976-ME712921----
cis-2-Carboxycyclohexyl-acetic acidcis-2-Carboxycyclohexyl-acetic acidME713191----
cis-4-Hydroxy-D-prolinecis-4-Hydroxy-D-prolineME712823440014C03440--
Citroflex A-4-ME7131286505---
clomazone-ME71312154778C11095--
CreatineCreatineME712726586C00300--
CreatinineCreatinineME712724588C00791--
CrotanecineCrotanecineME713065----
CY9070000-ME713132----
Cyclamic acidCyclamic acidME7130887533C02824--
CyclohexylamineCyclohexylamineME7127767965C00571--
CyclopamineCyclopamineME712788----
CYCLO(-SER-TYR)-ME713062----
Cyprodenate-ME712781----
cys-asnCys-AsnME713219----
Cys-proCys-ProME713006----
CytidineCytidineME7127676175C00475--
CytosineCytosineME712785597C00380--
dacisteine-ME713087----
D-Alanyl-D-alanineD-Alanyl-D-AlanineME7130565460362C00993--
D-a-Tocopherol-ME712811----
DeanolDimethylethanolamineME712771----
delta-guanidinovaleric acidDGVAME713162----
D-(+)-GlucoseGlucoseME7130955793C00293--
DiethanolamineDiethanolamineME712814----
Diethylamine-ME712873----
diethylcarbamazine-ME713130----
DihydrothymineDihydrothymineME71283193556C00906--
(Dimethylamino)acetaldehyde-ME713044----
dimethylformamide-ME713214----
Dipropylene glycol dimethyl ether-ME712747----
Djenkolic Acid-ME713104----
DL-2,6-Diaminopimelic acid-ME713203865---
DL-4662-ME713116102144588---
DL-AlanineAlanineME712780602C01401--
DL-GlutamineGlutamineME712913738C00303--
DL-HomoserineHomoserineME712758----
DL-LysineLysineME712753866C16440--
DL-SerineSerineME712736617C00716--
DL-TryptophanTryptophanME7128941148C00806--
D-lysopine-ME713108----
D-(+)-MaltoseMaltoseME7129036255C01971--
Dodec-11-enoic acid-ME712801----
D-PANTOTHENIC ACIDPantothenic acidME7127466613C00864--
D-(+)-ProlineD-ProlineME7127308988C00763--
D-(+)-Pyroglutamic Acid-ME712734439685C02237--
EcgonineEcgonineME713142251910---
EDDA-ME712928----
(E,E)-2,4-Dodecadienal-ME712832----
(E)-Furazolidone-ME7132165323714C07999--
EJ4025000-ME71294713542C19277--
Elaeokanine CElaeokanine CME712896----
entadamide A-ME713197----
EPK-ME713152----
Eprozinol-ME713172----
ET8750000-ME712813----
EthoxyquinEthoxyquinME7131543293---
Ethylenethiourea-ME7131382723650C14398--
Fucosamine-ME713093----
g-Guanidinobutyrate-ME712808500C01035--
GinkgotoxinGinkgotoxinME712970----
glu-leuGlu-LeuME713189----
GlycocyamineGuanidoacetic acidME712798763C00581--
Glycyl-L-leucineGly-LeuME71307192843C02155--
Gly-LeuGly-LeuME71307692843C02155--
Gly-LysGly-LysME713184----
GLY-METGly-MetME713061----
Guanidinoethyl sulfonateTaurocyamineME71300768340C01959--
GuanineGuanineME713035764C00242--
GuanosineGuanosineME7128156802C00387--
GuvacineGuvacineME712824----
GuvacolineGuvacolineME713149160492C16821--
heptaminol-ME7132153590---
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...-ME712869----
Hexylbenzene-ME712919----
Hippuric acidHippuric acidME712821464C01586--
HistamineHistamineME712872774C00388--
HMBA-ME713207----
Homo-L-arginineHomoarginineME712882----
HypotaurineHypotaurineME712789107812C00519--
HypotaurocyamineHypotaurocyamineME712996----
HypoxanthineHypoxanthineME712739790C00262--
γ-Glu-Glygamma-GlutamylglycineME713169----
Idrocilamide-ME713182----
ile-pheIle-PheME713186----
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME712904----
Imidazoleacetic acidImidazoleacetic acidME71295196215C02835--
InosineInosineME7127416021C00294--
Irgafos 168-ME71289891601---
Isobutyric acidIsobutyric acidME7129776590C02632--
ISOXYL-ME71276841648C18432--
Istamycin C1-ME712855----
KetamineKetamineME7130013821---
L(+)-2-Aminobutyric acid2S-Aminobutyric acidME71286380283C02356--
L-(+)-ArginineArginineME7128066322C00062--
L-Aspartic acidAspartic acidME7128705960C00049--
lavoltidine-ME713079----
L-(+)-CitrullineCitrullineME7128609750C00327--
L-Cysteinylglycine disulfideCysteinylglycine disulfideME712920----
L-CystineCystineME71284267678C00491--
L-decyline-ME713199----
lentiginosineLentiginosineME712805----
leucyl-4-hydroxyproline-ME713177----
LeucylprolineLeu-ProME7129403977067---
Leu-LeuLeu-LeuME712886----
leu-lysLeu-LysME713195----
Leu-ValLeu-ValME712772----
L-Glutamic acidGlutamic acidME71283733032C00025--
L-HistidineHistidineME7127906274C00135--
L-Homocysteic acidHomocysteic acidME713188----
LinoleamideLinoleamideME713072----
L-IsoleucineIsoleucineME7127386306C00407--
L-KynurenineKynurenineME712802161166C00328--
L-(+)-LeucineLeucineME713223----
L-(-)-methionineMethionineME7128386137C00073--
L-(-)-MethionineMethionineME7127486137C00073--
L-Methionine sulfoxide-ME712981158980C02989--
LNK-ME712834----
L-(+)-norleucineNorleucineME71303321236C01933--
L-NorleucineNorleucineME71273121236C01933--
L(+)-OrnithineOrnithineME7129856262C00077--
L-PhenylalaninePhenylalanineME7127326140C00079--
L(-)-Pipecolinic acid-ME712759439227C00408--
L-TheanineN(5)-Ethyl-glutamineME712879----
L-TyrosineTyrosineME7127566057C00082--
L-Tyrosine methyl esterMethyl tyrosinateME71309770652C03404--
LU3453000-ME712827----
LucidulineLucidulineME712880----
(-)-LupinineLupinineME713096----
MetalaxylMetalaxylME71305942586C10947--
Methamphetamine tert-butyl carbamate-ME713099----
Methoxyphenamine-ME7132114117---
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate-ME712995428827---
Methylimidazoleacetic acidMethylimidazoleacetic acidME71313175810C05828--
Methyl-L-histidinate-ME71314792893---
Methylone-ME71312545789647C20126--
METIPRANOLOLMetipranololME712917----
met-proMet-ProME712922----
MFCD00025555-ME713003----
MFCD01318772-ME712916----
MFCD10024834-ME712924122356C02714--
MW5604750-ME71320512581---
N~2~-Acetyl-L-ornithineN-AcetylornithineME713004----
N-(2-Amino-4-methylpentanoyl)glutamine-ME713123----
N-(2-Cyanoethyl)-L-glutaminegamma-Glutamyl-beta-aminopropiononitrileME712990----
N-(2-Methoxybenzoyl)glycine-ME713048----
N-[(2S,3R,4E)-1-{[4-O-(beta-D-Galactopyranosyl)-be...-ME712744----
N-(3,4-Dihydroxyphenyl)glutamine-ME712899----
N3,N4-Dimethyl-L-arginine-ME712810----
N-[(5E)-5-Heptenoyl]glycine-ME713209----
N6-Acetyl-L-lysineN6-AcetyllysineME713014----
N6-Me-AdenosineN6-MethyladenosineME7128401869---
N6-METHYLLYSINEN(6)-MethyllysineME712905----
N8-AcetylspermidineN8-AcetylspermidineME712846123689C01029--
N-Acetyl-a-D-glucosamine-ME713136----
N-Acetyl-ala-ala-ala-methylester-ME713075----
N-Acetyl-b-D-glucosamine-ME713118----
N-AcetylhistamineN-AcetylhistamineME71279169602C05135--
N-acetyl-L-2-aminoadipic acidN-Acetyl-2-aminoadipic acidME712887----
N-Acetyl-L-alanyl-L-alanyl-L-alanine-ME7131965483957---
N-Acetyl-L-carnosineN-AcetylcarnosineME712968----
N-Acetyl-L-leucineN-AcetylleucineME71293770912C02710--
n-Amylbenzene-ME712926----
N-BenzylformamideN-benzylformamideME71286780654C15561--
Ne-AcetyllysineN6-AcetyllysineME71319092832C02727--
N-EthylglycineN-EthylglycineME713017316542C11735--
n-Hexanamide-ME713126----
NicotinamideNiacinamideME712773936C00153--
Nicotinuric acidNicotinuric acidME71314868499C05380--
Nitrosoguvacoline-ME713101----
Nitrosoheptamethyleneimine-ME713187----
N-lauroylglycineNAGly 12:0ME712938----
N-Methylcaprolactam-ME71288117369---
N-MethylglutamateN-Methyl-glutamic acidME713178----
N-Methylglutamine-ME713082----
N-Methylhistamine1-MethylhistamineME712750912---
N-Methyl-<scp>D</scp>-aspartic acid-ME71317922880C12269--
N,N-Bis(2-hydroxyethyl)formamide-ME712948----
N,N-Diethylethanolamine-ME7127337497---
N,N-Dihydroxy-L-tryptophan-ME712969----
N,N-DimethylglycineDimethylglycineME712865673C01026--
N-NitrosodiethylamineN-NitrosodiethylamineME7131535921C14422--
N-Nitrosodimethylamine (NDMA)-ME7128926124C14704--
N-NonanoylglycineN-NonanoylglycineME712992----
N-OLEOYL-4-AMINOBUTYRIC ACID-ME713051----
Norketamine-ME712967123767---
NP-001346-ME712953----
NP-002854-ME713055----
NP-004036-ME712878----
NP-011548-ME712954----
NP-016455-ME713170----
NP-017152-ME713020----
NP-018660-ME712752----
NP-019722-ME713143----
NP-020014-ME712949----
NP-020454-ME712939----
NP-021797-ME712936----
NP-022512-ME712883----
NPEO-ME71300024773---
n-propylbenzene-ME713070----
n-RibosylhistidineN-RibosylhistidineME712950----
N-(tert-Butoxycarbonyl)-L-leucine-ME712727----
Nudifloramide-ME712777----
N-UndecanoylglycineN-UndecanoylglycineME712742----
nylon cyclic dimer-ME712933----
OI1695000-ME713173----
ON1225000-ME7131055271566---
oxazolidinone-ME713068----
Palmitic AcidPalmitic acidME713113----
Panthenyl ethyl ether-ME712902----
Papaverine-ME7130474680C06533--
PEG n10-ME71286479689---
PEG n11-ME71289581260---
PEG n12-ME71293081248---
PEG n13-ME71297687168---
PEG n14-ME713064656926---
PEG n15-ME713005120062---
PEG n5Pentaethylene glycolME71285662551---
PEG n6-ME71285317472---
PEG n7-ME71284579718---
pentabamate-ME713202----
pentahomomethioninePentahomomethionineME713089----
pentetrazol-ME7130365917C13692--
phe-lysPhe-LysME713176----
PhenethylaminePhenylethylamineME7130571001C05332--
Phenol, 3-(2-(1,1-dimethylethyl)-3-methyl-5-oxazol...-ME713175----
PhenylacetylglycinePhenylacetylglycineME71282668144C05598--
phenylpropiolic acidPhenylpropiolic acidME713124----
phosphonoacetaldehydePhosphonoacetaldehydeME712857----
p-Hydroxybenzalacetone-ME713137----
PhytosphingosinePhytosphingosineME713192122121C12144--
Pipecolic acidPipecolic acidME712757849---
PivagabinePivagabineME712975----
PPG n10-ME71283687390959---
PPG n4-ME71299891234---
PPG n5-ME7128339836244---
PPG n6-ME71279612827208---
PPG n7-ME71279512827211---
pro-cysPro-CysME712797----
ProlylleucinePro-LeuME712822444109---
pro-metPro-MetME712983----
propranolol-ME7131664946C07407--
Pro-ProPro-ProME713144----
Propyl (9E)-12-hydroxy-9-octadecenoate-ME712979----
Prostaglandin E2PGE2ME713040----
Prostaglandin J2PGJ2ME7129995280884---
Purinol-ME712971----
PutrescinePutrescineME7129741045C02896--
PyridoxalPyridoxalME7128071050C00250--
PyridoxaminePyridoxamineME7129591052C00534--
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME712825----
RimantadineRimantadineME7129885071C07236--
(R)-Salsolinol(R)-SalsolinolME71314654456---
(S)-(+)-2-Amino-1-propanol-ME71291080307---
S-3-oxodecanoyl cysteamine-ME712984----
S-AdenosylhomocysteineS-AdenosylhomocysteineME712850439155C00021--
salinosporamide D-ME713164----
S-Allyl-L-cysteineS-AllylcysteineME712782----
Sedanolide-ME7129095018391---
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamot...-ME713155----
S-Methyl-L-Cysteine-S-oxideS-Methylcysteine S-oxideME713012182092---
Sodium [dodecanoyl(methyl)amino]acetate-ME712897----
S-OXY CYSTEINE-ME713019----
sphinganineSphinganineME71313991486C00836--
Sphingosine (d18:1)-ME712874----
Spiroxamine-ME71298286160C11124--
streptidineStreptidineME712763----
StyreneStyreneME713027----
Supinine-ME713212----
S-(-)-Willardiine(S)-WillardiineME712754----
(+)-syringaresinol-ME712966443023C10889--
Tandospirone-ME713111----
TaurineTaurineME7132201123C00245--
TegaserodTegaserodME712931----
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carb...-ME7128492818159---
TetraacetylethylenediamineTetraacetylethylenediamineME713098----
Tetrahydro-5-oxo-2-furanacetic acid-ME712844----
Tetramethylurea-ME713122----
ThiorphanThiorphanME713141----
ThreonylleucineThr-LeuME713171----
thr-lysThr-LysME713201----
thr-proThr-ProME712906----
Timonacic-ME712786----
trans-3-Indoleacrylic acid-ME712760----
TriethanolamineTriethanolamineME7128177618---
TriethylamineTriethylamineME712743----
trihomomethionineTrihomomethionineME713218----
Triisopropanolamine-ME71287124730---
Trimethylamine N-oxideTrimethylamine N-oxideME712765----
Tris(2-butoxyethyl) phosphate-ME7127516540C14446--
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME712766----
Trp-ValTrp-ValME713161----
TussilagineTussilagineME712993----
TyramineTyramineME7129605610C00483--
Uric acidUric acidME7131021175C00366--
Urocanic acidUrocanic acidME712925736715C00785--
val-asnVal-AsnME713151----
valganciclovirValganciclovirME71316564147---
Val-lysVal-LysME712943----
Valpromide-ME71318171113---
Val-SerVal-SerME713217----
ValylglutamineVal-GlnME712885----
ValylprolineVal-ProME7130029837272---
ValylvalineVal-ValME712956----
vinylglycine-ME712907----
XanthineXanthineME7128891188C00385--
Xanthurenic acidXanthurenic acidME7130675699C02470--
XylitolXylitolME7132216912C00379--
ZalcitabineZalcitabineME71315624066C07207--


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-oxocapric acid-ME713346----
(±)11(12)-EET11,12-EpETrEME713442----
11-Eicosenoic acidcis-Gondoic acidME7133755282768---
13,14-dihydro-15-keto-tetranor Prostaglandin D2-ME71337144600450---
1,5-anhydroglucitol1,5-AnhydrosorbitolME71326264960C07326--
1-Methyl-3,6-(1H,2H)-pyridazinedione-ME71340095157---
(±)-1-Octen-3-ol-ME713470----
2,2-Bis(hydroxymethyl)propionic acid-ME71336078501---
2-[(2S,4aR,8aS)-2-Hydroxy-4a-methyl-8-methylenedec...-ME71343023757244---
2,3,4,5-Tetrahydroxypentanal-ME713326----
240I539PWQ-ME713254----
(2,4-Dihydroxyphenyl)(oxo)acetic acid-ME713431----
2-Acetamido-2-deoxy-D-gluconolactone-ME713446----
2-(acetylamino)-4-(methylthio)butanoic acid-ME713373----
2-(Acetylamino)hexanoic acid-ME713341306142---
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME713465----
2-Amino-6-(1,2,3-trihydroxypropyl)-7,8-dihydro-4(1...-ME713285----
2-Aminoadipic acidalpha-Aminoadipic acidME713366469---
2-Hydroxy-1,4-naphthoquinone-ME713416-C10368--
2-Hydroxyhippuric acidSalicyluric acidME71333910253C07588--
2-keto-3-deoxygluconate2-Dehydro-3-deoxy-D-gluconic acidME713297----
2-methoxyacetaminophen sulfate2-Methoxyacetaminophen sulfateME713395----
2-Methylbenzoic acid-ME7133438373C07215--
2-Naphthalenesulfonic acid-ME7134198420C16202--
(2R)-2,3-Dihydroxypropanoic acidGlyceric acidME713279439194C00258--
3,12-Dihydroxy-13-methoxypodocarpa-8,11,13-trien-7...-ME71343314191448---
3,3-Dimethylglutaric acid-ME71340120984---
3,4-Dimethylbenzoic acid3,4-Dimethylbenzoic acidME71330512073---
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...-ME713437----
3-acetamidopropanalAcetamidopropanalME713232----
3D-3,5/4-trihydroxycyclohexane-1,2-dione-ME713462----
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME7133241662C03761--
3-Hydroxybutyric acid3-Hydroxybutyric acidME713307441---
3-Isopropenylpentanedioic acid-ME713417----
3-Keto-scyllo-inosamine-ME713408----
3-Methylazelaic acid-ME713463----
3-Methylcrotonylglycine3-MethylcrotonylglycineME713441169485---
3-Methylhistidine3-MethylhistidineME713283565965---
3-(METHYLNITROSAMINO)PROPIONITRILE-ME713237----
3-Methylsalicylic acid-ME7134386738C14088--
3-Oxooctanoic acid-ME713379----
3-Sulfamoylalanine-ME713344----
4,5-dioxovaleric acid-ME713319----
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME71323019266---
4-Chlorophenol4-ChlorophenolME7134234684---
4-Dodecylbenzenesulfonic acid4-Dodecylbenzenesulfonic acidME7132588485---
4-ethylphenylsulfonic acid-ME713303----
4-Hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME713354----
4-Hydroxy-2-oxoheptanedioic acid4-Hydroxy-2-oxo-heptanedioic acidME713265----
4-Hydroxy-L-threonine4-HydroxythreonineME713348----
4-(Hydroxymethyl)benzenesulfonic acid-ME713301----
4-IndolecarbaldehydeIndole-4-carboxaldehydeME713436333703---
4-Nitrophenol4-NitrophenolME713327980C00870--
4-Oxoproline4-Oxo-prolineME713233413589C01877--
4-phenolsulfonic acid-ME7132634765C12849--
4-Undecylbenzenesulfonic acid-ME713259----
5-amino-6-(5-phospho-D-ribitylamino)uracil5-Amino-6-(5-Phospho-D-ribitylamino)uracilME713472----
5-Aminovaleric acid5-Aminopentanoic acidME713236138C00431--
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...-ME713413----
(5Z,8Z)-5,8-Tetradecadienoic acid-ME713434----
6-Hydroxycaproic acid6-Hydroxycaproic acidME71331814490C06103--
6-Oxohexanoic acid-ME713356----
7-Oxoheptanoic acid-ME713387----
7Z,10Z-Hexadecadienoic acid7Z,10Z-Hexadecadienoic acidME713435----
8-iso-15-keto Prostaglandin E2-ME71342916061134---
9-Oxononanoic acid9-Oxo-nonanoic acidME713403----
Ac-Ala-OHN-AcetylalanineME71331688064---
AcamprosateAcamprosateME71337671158---
AceglutamideN-Acetylglutamic acidME713365182230---
Aceturic acidN-AcetylglycineME71336410972---
AcetylarginineN-AcetylarginineME713451102807---
acetylserineO-AcetylserineME713390----
acetyltaurine-ME713359----
Acrylic acidAcrylic acidME7133586581C00511--
a-Cyano-3-hydroxycinnamic acid-ME713325----
a-Cyano-4-hydroxycinnamic acid-ME713321----
AdenineAdenineME713370190C00147--
Adipic acidAdipic acidME713351196C06104--
Adrenic acidAdrenic acidME7132785497181C16527--
afegostat-ME713289----
Agrocybin-ME713380----
AJ4900000-ME713466----
Aminohippuric acidAminohippuric acidME7134442148---
Arachidonic acidArachidonic acidME713231444899C00219--
Azelaic acidAzelaic acidME7134282266C08261--
Benzoic acidBenzoic acidME713247243C00180--
Bicine-ME7132938761---
Butobarbital-ME713260----
Butyl butyryllactate-ME713440----
CapryloylglycineCapryloylglycineME71346984290---
CAPSO-ME7134272733480---
CarbocysteineS-Carboxymethyl-cysteineME7133101080---
CreatineCreatineME713304586C00300--
Cyclamic acidCyclamic acidME7134327533C02824--
cystineCystineME713308----
dacisteine-ME713404----
D-Alanyl-D-alanineD-Alanyl-D-AlanineME7132905460362C00993--
Deferiprone-ME713455----
D-(-)-ErythroseErythroseME713241----
D-Glucono-delta-lactone-ME7133367027C00198--
D-(-)-GlutamineD-GlutamineME713235145815C00819--
Dichloroacetic acidDichloroacetic acidME713398----
Dihomo-?-Linolenic AcidDihomo-gamma-linolenic acidME713306----
DL-AlanineAlanineME713253602C01401--
DL-ArginineArginineME713353232C02385--
DL-Glutamic acidGlutamic acidME713355----
DL-Lactic Acid-ME713229612C01432--
DL-LysineLysineME713267866C16440--
DL-Mevalonic acid-ME713443449---
DL-ß-LeucineLeucineME713240----
DL-TryptophanTryptophanME7132611148C00806--
Dodecyl sulfateBlasticidin SME7132648778C08031--
D-PANTOTHENIC ACIDPantothenic acidME7132346613C00864--
D-Saccharolactone-ME713312----
Eritadenine-ME713420----
Ethylmalonic acidEthylmalonic acidME71336311756---
Ethyl sulfate-ME713252----
Glutaurine-ME713454----
glycerol 1,2-cyclic phosphate-ME713309----
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME713334----
Glycolic acidGlycolic acidME713340757C00160--
Glycyl-L-leucineGly-LeuME71345692843C02155--
Gly-thrGly-ThrME713337----
Guanidinoethyl SulfonateTaurocyamineME71328868340C01959--
GuanineGuanineME713448764C00242--
HEPES-ME713298----
HexitolSorbitolME713347----
HexoseHexoseME713226----
his-aspHis-AspME713372----
HydrochlorothiazideHydrochlorothiazideME7132683639---
Hydroxycaproic acidHydroxycaproic acidME71342199824---
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME713248----
Imidazolelactic acidImidazolelactic acidME713249459122---
Indoxyl sulfateIndoxyl sulfateME71330010258---
Isobutyric acidIsobutyric acidME7134476590C02632--
Isophthalic acid-ME7132288496---
Itaconic acidItaconic acidME713450811C00490--
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-...-ME713449----
L-(-)-AsparagineAsparagineME7132866267C00152--
L-(+)-Aspartic acidAspartic acidME7134525960C00049--
LeucylalanineLeu-AlaME713471----
Leu-LeuLeu-LeuME713453----
Levulinic acidLevulinic acidME71328411579---
L-HistidineHistidineME7132466274C00135--
L-Homocysteic acidHomocysteic acidME713357----
L-IditolL-IditolME7132705460044C01507--
Linoleic acidLinoleic acidME7134055280450C01595--
Linoleic AcidLinoleic acidME713245----
?-Linolenic AcidOctadecatrienoic acidME713329----
L-(-)-methionineMethionineME7132576137C00073--
L-PhenylalaninePhenylalanineME7132436140C00079--
L-(+)-Tartaric acidTartaric acidME713273444305---
L-(-)-ThreonineThreonineME7133156288C00188--
L-TyrosineTyrosineME7132446057C00082--
lys-tyrLys-TyrME713460----
MC0555300-ME71340721863---
Meglutol3-Hydroxymethylglutaric acidME7133971662C03761--
Mesaconic acidMesaconic acidME713332638129C01732--
Meso-erythritolErythritolME7133228998---
Methyl (2E,6Z)-2,6-dodecadienoate-ME713439----
Methyl bisulfate-ME713274----
Methylmalonic acidMethylmalonic acidME713250487C02170--
Methylsuccinic acidMethylsuccinic acidME71336210349---
MFCD00025555-ME713467----
MFCD00057569-ME713468----
MFCD00133175-ME713396----
MFCD12546417-ME713392189003C06674--
Monomethyl phthalateMonomethyl phthalateME71332320392---
Myristoleic acidMyristoleic acidME713402----
Myristyl sulfate-ME7132995248---
Myrmicacin-ME71338626612---
N-(1H-Pyrrol-2-ylcarbonyl)glycine-ME713328----
N-(2-Cyanoethyl)-L-glutaminegamma-Glutamyl-beta-aminopropiononitrileME713313----
N-(2-Hydroxyethyl)glutamine-ME713464----
N-[(2S)-2-Hydroxypropanoyl]glycine-ME713345----
N-[(2S)-2-Hydroxypropanoyl]methionine-ME713384----
N-[(3E)-3-Heptenoyl]glycine-ME713458----
N-AcetylalanineN-AcetylalanineME71328188064---
N-Acetylaspartic acidN-Acetylaspartic acidME71335265065C01042--
N-Acetyldemethylphosphinothricin tripeptide-ME713410----
N-acetyl-LL-2,6-diaminopimelic acid-ME713411----
N-Acetylnorvaline-ME713292306106---
n-Butyl lactate-ME713368----
Ne-AcetyllysineN6-AcetyllysineME71331492832C02727--
N-EthylglycineN-EthylglycineME713457316542C11735--
N-methyl-2-oxoglutaramic acid-ME713374----
N-MethylglutamateN-Methyl-glutamic acidME713242----
N-Methyl-<scp>D</scp>-aspartic acid-ME71323922880C12269--
N,N-Dihydroxy-L-valine-ME713276----
N-NonanoylglycineN-NonanoylglycineME713418----
NonanalPelargonaldehydeME713459----
Nonanoic acidPelargonic acidME7132948158C01601--
NP-018661-ME713330----
NS1800000-ME7133836723C00847--
N-Tridecanoylglycine-ME713361----
N-UndecanoylglycineN-UndecanoylglycineME713269----
O-Acetyl-L-serineO-AcetylserineME71340999478C00979--
Oleandrose-ME713377----
Oleic acidOleic acidME713415965C00712--
Oleic AcidOleic acidME713251----
O-propenoyl-D-carnitine-ME713338----
OrnithineOrnithineME713399389C01602--
Orotic acidOrotic acidME713381967C00295--
Oxalosuccinic acidOxalosuccinic acidME713295----
phe-ilePhe-IleME713461----
PhenanthrenePhenanthreneME713275----
PhenindionePhenindioneME713277----
PhenylacetylglycinePhenylacetylglycineME71325568144C05598--
PHENYLBUTYRIC ACIDPhenylbutyric acidME7133314775---
Phenyl D-glucopyranosiduronic acid-ME713291----
PicolinamidePicolinamideME713378----
PivagabinePivagabineME713406----
PregabalinPregabalinME7133115486971---
pro-cysPro-CysME713266----
Prostaglandin E2PGE2ME713333----
pyroglutaminePyroglutamineME713317----
Pyruvic acidPyruvic acidME7133421060C00022--
QV1MVO1R-ME713271----
Salicylic acidSalicylic acidME713422338C00805--
S-Allyl-L-cysteineS-AllylcysteineME713280----
ser-proSer-ProME713412----
ß-Alaninebeta-AlanineME713367----
ß-D-Glucopyranuronic acidGlucuronic acidME713394----
stilben-4-ol-ME713272----
Suberic acidSuberic acidME71344510457C08278--
Succinic acidSuccinic acidME7132961110C00042--
SucroseSucroseME7133025988C00089--
sulfoacetaldehydeSulfoacetaldehydeME713282----
Sulfosalicylic AcidSulfosalicylic acidME7132877322---
TaurineTaurineME7132251123C00245--
TauropineTauropineME713388----
Tetradecanedioic acidTetradecanedioic acidME71347313185---
Tetrahydro-5-oxo-2- furancarboxyli-ME713369----
THREONIC ACID, L--ME713256----
thr-proThr-ProME713350----
TiglylglycineTiglylglycineME7133936441567---
Timonacic-ME713238----
Traumatic AcidTraumatic acidME713424----
triacetic acidTriacetic acidME713320----
Tricine-ME713335----
Trifluoroacetic acid-ME713224----
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME713385----
UracilUracilME7133491174C00106--
Urocanic acidUrocanic acidME713389736715C00785--
Valeric acidValeric acidME7134147991C00803--
Valnoctamide-ME713425----
ValylglutamineVal-GlnME713382----
XanthineXanthineME7132271188C00385--
Xylenesulfonate-ME71342614756---
ZalcitabineZalcitabineME71339124066C07207--


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