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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-ME7104985312738---
10-oxo-8-decenoic acid-ME710342----
10-Undecenoic acid10-Hendecenoic acidME710194----
(+/-)11(12)-EET11,12-EpETrEME71054340490664---
11-Aminoundecanoic acid11-Aminoundecanoic acidME710549----
11-Nor-9-carboxy-thc-ME710464107885---
1-(1-Pyrrolidinyl)-2-butanone-ME710450----
1-(1-Pyrrolidinyl)acetone-ME710661----
1,2,3,4-Tetrahydro-β-carboline-3-carboxylic aci...-ME71052198285---
1-(2-Deoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyri...-ME710145----
1,3,7-Octanetriol1,3,7-OctanetriolME710034----
1,3-Dipropylxanthine-ME710205----
1-(3-Furyl)-1,4-pentanediol-ME710257----
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-...-ME71032914806212---
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,1...-ME710603----
1-(4-Amino-4-deoxy-beta-D-glucopyranuronosyl)-4-im...-ME709999----
1-(4-Hydroxyphenyl)-1-decene-3,5-dione-ME710259----
1-(4-Methyl-1-piperazinyl)-2-[(3R,4S)-3-({5-[4-(2-...-ME71034126743300---
15(R)-Lipoxin A4-ME7106019841438---
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracy...-ME710465----
1-arachidonoyl-sn-glycero-3-phosphoethanolamineLPE 20:4/0:0ME710247----
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine-ME710216----
1-(beta-D-ribofuranosyl)thymineRibothymidineME710057----
1-Isopropenyl-3-isopropylbenzene-ME710313----
1-Linoleoyl glycerolMG 18:2ME7105765283469---
1-Methyladenosine1-MethyladenosineME710635----
1-Methylhistidine1-MethylhistidineME710130352019---
1-Methylimidazoleacetic acid-ME71007075810C05828--
1-Oxo-1H-isochromene-3-carbaldehyde-ME710663----
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione-ME710033----
1-Piperideine1-PiperideineME710375----
(1R,2S)-1-(7,8-Dihydro-6-pteridinyl)-1,2-propanedi...-ME710453----
(1R,9R)-5-(2-Methylphenyl)-11-(propylsulfonyl)-7,1...-ME710539----
(1R,9R)-N-(4-Fluorophenyl)-5-[(3-methoxypropanoyl)...-ME710092----
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetra...-ME710517----
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic ...-ME710430----
2-(1H-indol-3-yl)acetic acidIndoleacetic acidME710610----
2-[(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]p...-ME710662----
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)-ME710129549976---
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic a...-ME710217----
2,2'-Iminodipropan-1-ol-ME710049----
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2...-ME710590----
2,3,4,9-Tetrahydro-1H-ß-carboline-3-carboxylic ac...-ME710671----
2,3-Methyleneglutaric acid-ME710557----
2,3-Octadiene-5,7-diyn-1-ol-ME710048----
2-(3-Phenylpropyl)pyridine-ME710615----
2-[(3R,4S)-1-Benzoyl-3-ethyl-4-piperidinyl]-N-(4-f...-ME71027611911984---
2444643WXK-ME710435----
2,5-Dimethyl-4-ethoxy-3(2H)-furanone-ME710338----
2,6-Diamino-4-hexenoic acid-ME710462----
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-y...-ME710503----
2-Acetamido-2-deoxy-3-O-(6-deoxy-alpha-L-galactopy...-ME710545----
2-Acetamidooctanoic acidN-Acetyl-2-aminooctanoic acidME710090----
2-Acetyl-4-methylpyridine-ME710524----
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid-ME710528----
2'-Amino-2,3-biphenyldiol-ME710183----
2-Amino-3-methoxybenzoic acid3-Methoxyanthranilic acidME710252255720C05831--
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tet...-ME710486----
2-amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropt...-ME710277----
2-Aminooctadec-4-yne-1,3-diol-ME7101092802958---
2-Arachidonoyl glycerolMG 20:4ME7103675282280C13856--
2-Butyl-5-ethyl-4-methyloxazole-ME710674----
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic ...-ME710339----
2-Decylfuran-ME710363----
2'-DeoxycytidineDeoxycytidineME710027----
2'-DeoxyinosineDeoxyinosineME71056565058C05512--
2-(Diethylamino)ethanol-ME7100917497---
(2E)-2-[2-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-...-ME710658----
(2E)-2-Octenal-ME710269----
(2E,4E,7E)-2,4,7-Decatrienoic acid-ME710684----
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide-ME710246----
(2E,6Z)-Nona-2,6-dienal-ME710491----
(2E)-decenoic acid2-Decenoic acidME710357----
2-Furoic acid2-Furoic acidME710346-C01546--
2-Heptyl-3-(2,4-pentadiyn-1-yl)oxirane-ME710646----
2-Hydroxy-4,5',8a'-trimethyl-1'-oxo-4-vinyloctahyd...-ME71048257509504---
2-Hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME71065011427---
2-Hydroxyhippuric acidSalicyluric acidME71055110253C07588--
2-hydroxysebacic acid-ME710427----
2-Isobutyl-3-methylpyrazine-ME710319----
2-Methyl-3-thioacetoxy-4,5-dihydrofuran-ME710058----
2-Methylthiazolidine2-MethylthiazolidineME710116----
2-octadecanoyl-sn-glycero-3-phosphoethanolamine-ME710119----
2-OxindoleIndolin-2-oneME710344321710C12312--
2-oxohex-4-enoic acid-ME710302----
2-Phenylethyl D-glucopyranoside-ME710384----
2-Propionyl-1,4,5,6-tetrahydropyridine-ME710287----
2-pyridylacetylglycine-ME710199----
2-Quinolinecarboxylic acidQuinaldic acidME7101077124C06325--
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3...-ME710343----
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...-ME710641----
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phos...-ME710231----
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octa...-ME710566----
(2S)-2-Amino-8-oxodecanoic acid-ME710552----
(2S)-3-Phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(...-ME710443----
(2S)-4-Acetamido-2-aminobutanoic acid-ME710156----
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic aci...(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME710186----
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6...-ME710188----
2S-Amino-tridecanoic acid2S-Aminotridecanoic acidME710522----
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid-ME710418----
(2Z)-2,4-Dihydroxy-2-heptenedioic acid-ME710494----
(2Z,4Z,6Z)-2,4,6-Nonatrienal-ME710626----
3-(1-Pyrrolidinyl)-2-pentanone-ME710383----
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine-ME710607----
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy...-ME710538----
3-(3,4-dihydroxyphenyl)propanoic acid3,4-Dihydroxyhydrocinnamic acidME710010----
3-(3-methylthio)propylmalic acid-ME710076----
3,4-Dimethylbenzoic acid3,4-Dimethylbenzoic acidME71062512073---
3-(4-hydroxy-3-methoxyphenyl)propanoic acidDihydroferulic acidME710126----
[3-(4-Methoxyphenyl)-2-oxiranyl]methanolMethanolME710492----
3,4-Methylenesebacic acid-ME710664----
3,5-di-tert-Butyl-4-hydroxybenzoic acid-ME71049615007---
3-(5-Hydroxy-1H-imidazol-4-yl)propanoic acid-ME710282----
3-Amino-2-naphthoic acid-ME71061722244---
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-di...-ME710031----
(3aS,4R,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidaz...-ME710085----
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8...-ME710139----
(3E)-3-propylidenephthalide-ME710679----
3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H...-ME71029110242---
3-Hydroxy-3-(2,3,4-trimethoxyphenyl)propanoic acid-ME710499----
3-Hydroxy-5-methoxy-6-methyl-2,3-dihydro-4H-pyran-...-ME710485----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME71016186C00632--
3-Indoleacetamide1H-Indole-3-acetamideME710314----
3-Indoleacetonitrile3-IndoleacetonitrileME710452351795C02938--
3-Methyl-6,7,8-trihydropyrrolo[1,2-a]pyrimidin-2-o...-ME710541----
3-Methylcrotonylglycine3-MethylcrotonylglycineME710444169485---
3-Nonanon-1-ol-ME710527----
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,...-ME710470----
(3R)-3-(2-Hydroxyphenyl)-1-phenyl-1,4-pentanedione-ME710660----
(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA-ME710609----
3-Thiomorpholinecarboxylic acidThiomorpholine-3-carboxylic acidME710122----
3-Tropanol-ME710525----
4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxy...-ME710233----
4-[(3-Acetamidopropyl)amino]butanoic acidN-AcetylisoputreanineME710189----
4-(5-{5-[(2S)-1-(4-Pyridinylmethyl)-2-pyrrolidinyl...-ME71039145783519---
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecah...-ME71041760208906---
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)...-ME710568----
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane-ME710682----
4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetrameth...-ME710667----
4',7-dimethoxy-2,2,4-trimethyl-Delta(3)-isoflavan-ME710602----
4-ACETAMIDOBUTYRIC ACID4-Acetamidobutanoic acidME71039318189C02946--
4alpha-hydroxymethyl-4beta-methylzymosterol-ME710407----
(4E)-2-Amino-3-oxo-4-decenoic acid-ME710406----
4-Guanidinobutyric acid4-Guanidinobutanoic acidME710103500C01035--
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME710087126C00633--
4'-HYDROXYFLAVONE-ME710563----
4-Hydroxylidocaine-ME71033713932575---
4-Hydroxyprolylmethionine-ME710245----
4-Hydroxyprolylproline-ME710564----
4-Methoxybenzaldehyde-ME71052031244C10761--
4-Methoxychalcone-ME710586641819---
(4R)-5-Hydroxy-L-leucine-ME710296----
4-Vinylcatechol-ME710535----
4-Vinylcyclohexene-ME710178----
4-[(Z)-2-Aminovinyl]phenol-ME710467----
5-(3,4-Dihydroxyphenyl)pentanoic acid-ME710677----
5-{4-[2-(Methylamino)ethoxy]benzyl}-1,3-thiazolidi...-ME710469----
5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a...-ME7101232818477---
5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone-ME710440----
5-[5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidene...-ME710591----
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one-ME710651----
5,8a-Dimethyl-3-methylene-3,3a,5,6,8,8a,9,9a-octah...-ME710505----
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid-ME710274----
5-Butyloxazole-ME710147----
5'-dehydroadenosine5'-DehydroadenosineME710350----
5-Hydroxy-DL-tryptophan5-Hydroxy-DL-tryptophanME710249144C01017--
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME7106051826C05635--
5-Methylcytidine5-MethylcytidineME710043----
5-Methylcytosine5-MethylcytosineME71009465040C02376--
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...-ME710456----
5-Oxonorleucine-ME710318----
5-Pentylresorcinol-ME710533----
(5S)-5-(D-Galactopyranosyloxy)-L-lysine-ME710089----
5-ureidoimidazole-4-carboxylic acid-ME710006----
6-(1H-Pyrrol-1-yl)norleucine-ME710387----
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine-ME710580----
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norle...-ME710256----
6-[(6-Aminohexanoyl)amino]hexanoic acid-ME710146----
[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquino...-ME710636----
6-Amino-2-methyl-2-heptanyl (1,3-dimethyl-2,6-diox...-ME710142----
6-(Methoxymethyl)-2-(2-methyl-1,3-thiazol-4-yl)pyr...-ME7106272744811---
6-Methylnicotinamide-ME71006296351---
6-Methylquinoline6-MethylquinolineME7102117059---
6-Oxo-pipecolinic acid-ME710571----
(6R)-9-(beta-D-Ribofuranosyl)-6,9-dihydro-1H-purin...-ME710281----
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,...-ME710267----
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benz...-ME710655----
7α-Hydroxy-3-oxo-4-cholen-24-oic acid-ME710628----
7-Mercaptoheptanoylthreonine-ME710597----
7-Methyl-2-benzofurancarboxaldehyde-ME710585----
7-Methylguanine7-MethylguanineME71012411361C02242--
7-Octene-3,5-diyn-1-ol-ME710236----
8-Amino-7-oxononanoic acid8-Amino-7-oxononanoic acidME710360----
(+/-)8-HEPE8-HEPEME71060816061128---
8-Hydroxy-4-methoxy-7-methyl-7,8-dihydro-5H-furo[2...-ME710672----
8-Hydroxy-5,6-octadienoic acid-ME710497----
8-Iso-15-keto-prostaglandin-F2ß-ME710675----
9-Anthroic acid-ME710029----
9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.0Âa,â...-ME710509----
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1...-ME710477----
9-Oxononanoic acid9-Oxo-nonanoic acidME710187----
a-AspartylphenylalanineAsp-PheME710352----
AcetanilideN-AcetylarylamineME710174904C02558--
Acetyl adenylateAcetyl adenylateME710292----
AcetylarginineN-AcetylarginineME710080102807---
Acetyl-L-methionineN-AcetylmethionineME710446448580C02712--
Acotiamide-ME710409----
AdenineAdenineME710060190C00147--
AdenosineAdenosineME70999760961C00212--
Adenosine 3'5'-cyclic monophosphate-ME7101216076C00575--
Adenosine 5'-monophosphateAMPME7100026083C00020--
Adenosine diphosphate (ADP)-ME7104036022C00008--
Adenylsuccinic acidAdenylsuccinic acidME710164----
Adipoin-ME710333----
ALA-GLUAla-GluME710196----
ala-metAla-MetME710232----
Alanylclavam-ME710458----
AlanyltyrosineAla-TyrME71035192946---
Ala-TyrAla-TyrME710306----
AlizaprideAlizaprideME710299----
Allyl cyclohexanebutyrate-ME710055----
.alpha.-Aminoadipic acidalpha-Aminoadipic acidME710016469---
.alpha.-Apocholic acid-ME710172----
Amfepramone-ME7106047029C06954--
AnisomycinAnisomycinME710432----
Anthranilic acid2-Aminobenzoic acidME710184227C00108--
APK-ME710637----
arg-ileArg-IleME710140----
ascopyrone M-ME710386----
asn-leuAsn-LeuME710204----
asn-pheAsn-PheME710298----
asn-valAsn-ValME710340----
asp-leuAsp-LeuME710154----
Asp-TrpAsp-TrpME710112----
Azelaic acidAzelaic acidME7101972266C08261--
Bamethan-ME710442----
b-Angelica lactone-ME710390----
BenzaldehydeBenzaldehydeME710301----
Benzil-ME710322----
Benzoxazolone2-BenzoxazololME710036----
Benzyl butyl phthalateBenzyl butyl phthalateME7100392347C14211--
.beta.-Alaninebeta-AlanineME710379239C00099--
(betaS)-beta-Hydroxy-L-tryptophan-ME710166----
Bethanidine-ME710583----
BiacetylDiacetylME710317650C00741--
Bis(4-ethylbenzylidene)sorbitol-ME7103969866479---
Bis(methylbenzylidene)sorbitol-ME71009590474944---
Brassylic acidTridecanedioic acidME710611----
Butobarbital-ME710295----
butoctamide-ME710459----
C8-HSL-ME710550----
CaffeineCaffeineME7100142519C07481--
CaprolactamEpsilon-caprolactamME7105627768C06593--
CapryloylglycineCapryloylglycineME71033084290---
capuride-ME710483----
Carbenoxolone-ME710419----
Carboprost Methyl-ME710328----
carisoprodolCarisoprodolME7106332576C07927--
CarnosolCarnosolME710588----
CarteololCarteololME7103042583C06874--
Carvacrol ethyl ether-ME710513----
(+)-castanospermineCastanospermineME710656----
Cefuroxime pivoxetil-ME710150----
Cervonoyl ethanolamideDihomo-gamma-linolenoyl-EAME710436----
CinnamaldehydeCinnamaldehydeME710072637511C00903--
Cinnamic acidtrans-Cinnamic acidME710190444539C00423--
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dieneca...-ME710434----
cis-acetylacrylic acid-ME710289----
Clavamycin E-ME710214----
clomazone-ME71017654778C11095--
Cordycepin-ME7106696303C08431--
CortisoneCortisoneME710283222786C00762--
CreatineCreatineME710001586C00300--
CreatinineCreatinineME710026588C00791--
Cromakalim-ME710222----
CrotamitonCrotamitonME710336688020---
CrotanecineCrotanecineME710424----
Crotetamide-ME7106815368010---
cuscohygrineCuscohygrineME710369----
CY9070000-ME710475----
Cyclic ADP-riboseCyclic ADP-riboseME710310123847C13050--
Cyclohexanecarboxylic acidCyclohexanecarboxylic acidME7102787413C09822--
CyclohexylamineCyclohexylamineME7100687965C00571--
Cyclo(leucylleucine)-ME710619----
cyclo(L-Phe-L-Pro)-ME710392----
CyclopamineCyclopamineME710106----
CYCLO(-SER-TYR)-ME710441----
Cyprodenate-ME710053----
Cys-proCys-ProME710117----
Cysteine-glutathione disulfideS-Glutathionyl-cysteineME710054----
cystineCystineME710185----
CytidineCytidineME7100256175C00475--
Cytidine 5'-monophosphate (hydrate)CMPME7103666131C00055--
CytosineCytosineME710018597C00380--
dacisteine-ME710284----
DecanamideDecanamideME71045775347---
D-Erythro-sphingosine 1-phosphateSphingosine 1-phosphateME7101515283560C06124--
DESMETHYLSELEGILINE-ME710356185859C15476--
Desoxycortone11-DeoxycorticosteroneME7103986166---
DesthiobiotinDethiobiotinME710413643C01909--
Dibutyl phthalateDibutyl phthalateME7106003026---
dictyoquinazol B-ME710468----
DicyclohexylamineN,N-DicyclohexylamineME710567----
DiethanolamineDiethanolamineME710065----
Diethyleneglycol dibenzoate-ME7105948437---
dihydropinosylvin-ME710680----
DihydrothymineDihydrothymineME71010893556C00906--
DiphenylamineDiphenylamineME71007911487C11016--
DL-2-(acetylamino)-3-phenylpropanoic acid-ME710577----
DL-a-Aminocaprylic acid-ME710331----
DL-Ala-DL-Phe-ME710210----
DL-AlanineAlanineME710285602C01401--
DL-Carbidopa-ME710374----
DL-gamma-carboxyglutamic acid-ME710547----
DL-GlutamineGlutamineME710136738C00303--
DL-HistidineHistidineME710100----
DL-HomoserineHomoserineME710064----
DL-LysineLysineME710044866C16440--
DL-Nordihydroguaiaretic acid-ME710676----
DL-SerineSerineME710155617C00716--
DL-TryptophanTryptophanME7100081148C00806--
D-lysopine-ME710198----
Docosahexaenoic acid ethyl ester-ME7104489831416C16185--
D-PANTOTHENIC ACIDPantothenic acidME7100226613C00864--
D-(+)-Pipecolinic acidPipecolic acidME710045736316---
D-(+)-ProlineD-ProlineME7100308988C00763--
D-(+)-Pyroglutamic Acid-ME710074439685C02237--
(E)-2-Butenyl-4-methyl-threonine2-Butenyl-4-methylthreonineME710380----
Ecgonine methyl ester-ME710327104904---
EctoineEctoineME710489----
Edoxudine-ME710141----
(E,E)-2,4-Dodecadienal-ME710508----
Elaeokanine CElaeokanine CME710555----
epsilon-Caprolactone-ME71021910401---
EPTCEPTCME71008612968C11081--
(E)-Stilbestrol-ME710402----
EthinylestradiolEthinyl estradiolME7106665991C07534--
Ethyl 3-(Methylthio)propionate-ME710208----
Ethyl docosahexaenoate-ME7101489831416C16185--
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]...-ME710546----
Ethyl N-ethylanthranilateEthyl-N-ethylanthranilic acidME710584----
FADFADME710180643975---
Falecalcitriol-ME710411----
FarnesylcysteineFarnesylcysteineME710630----
FasoracetamFasoracetamME710493----
Fasudil-ME710389----
fepradinol-ME710473----
Flavin mononucleotide (FMN)FMNME710372643976C00061--
FormylkynurenineN-Formyl-L-kynurenineME710263----
fosfocreatinine-ME710266----
GabapentinGabapentinME7103343446---
gamma-glutamyltyramine-ME710578----
GELSEMICINEGelsemicineME710431----
g-Guanidinobutyrate-ME710135500C01035--
Gingerdione-ME710657----
GinkgotoxinGinkgotoxinME710361----
glu-leuGlu-LeuME710047----
Glutaric acidGlutaric acidME710238743C00489--
glu-tyrGlu-TyrME710163----
GlycocyamineGuanidoacetic acidME710061763C00581--
glycyclamide-ME710428----
Glycyl-4-hydroxyproline-ME710404----
Glycylglutamic acidGly-GluME710230----
Glycyl-L-asparaginyl-D-leucine-ME710592----
Glycyl-L-leucineGly-LeuME71012792843C02155--
Gly-l-pro-ME710315----
Gly-PheGly-PheME710260----
Gly-TrpGly-TrpME710593----
Gly-TyrGly-TyrME710297----
goralatide-ME710429----
GuanineGuanineME710032764C00242--
GuanosineGuanosineME7100206802C00387--
Guanosine monophosphateGMPME7100666804C00144--
Harmalane-ME710311----
HC blue 2-ME710653----
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...-ME710556----
HexanalCaproaldehydeME710515----
Hexylbenzene-ME710332----
Hippuric acidHippuric acidME710040464C01586--
his-metHis-MetME710612----
His-proHis-ProME710262----
HistamineHistamineME710355774C00388--
HomocarnosineHomocarnosineME710312----
HomocitrullineHomocitrullineME710201----
Homo-L-arginineHomoarginineME710229----
HypoxanthineHypoxanthineME709995790C00262--
ile-metIle-MetME710422----
ile-tyrIle-TyrME710316----
Imazapyr-ME71065254738C18864--
IN00260-ME710416----
Indirubin-ME7102445318433---
Indole-3-acetaldehydeIndoleacetaldehydeME710271----
Indole-3-acetic acidIndoleacetic acidME710111802C00954--
Indole-5,6-quinoneIndole-5,6-quinoneME710481----
Indoleacetylaspartate-ME710510----
indoline-2-carboxylic acid-ME710438----
InosineInosineME7099986021C00294--
Inosine-5'-monophosphate (IMP)IMPME7100468582C00130--
IPK-ME710548----
Iprofenin-ME710511----
Isobutyric acidIsobutyric acidME7103596590C02632--
IsoliquiritigeninIsoliquiritigeninME710381638278C08650--
Isopropyl catecholIsopropylcatecholME710668----
Isovalerylglutamic acid-ME710354----
ISOXYL-ME71002141648C18432--
Kaur-15-ene-17,18-dioic acid-ME710618----
kazinol A-ME710560----
KetamineKetamineME7101013821---
KetoprofenKetoprofenME7103763825C01716--
L-3-nitrotyrosine-ME710634----
L-(+)-ArginineArginineME7100786322C00062--
L-Aspartic acidAspartic acidME7101145960C00049--
Lauramide-ME710159----
L-Cladinpyranose-ME710665----
L-(+)-CysteineCysteineME7105165862C00097--
L-CystineCystineME71028667678C00491--
L-decyline-ME710678----
L-DopaDOPAME7102346047C00355--
lentiginosineLentiginosineME710320----
Lercanidipine-ME71062365866---
LeucylasparagineLeu-AsnME710098----
LeucylmethionineLeu-MetME710620----
LeucylprolineLeu-ProME7101443977067---
LeucyltyrosineLeu-TyrME710412----
Leu-Gly-ProLeu-Gly-ProME710487----
Leu-LeuLeu-LeuME710420----
Leu-proLeu-ProME710182----
leu-thrLeu-ThrME710595----
Leu-ValLeu-ValME710099----
LevetiracetamLevetiracetamME7104145284583---
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME710220----
L-gamma-Glutamyl-L-methionine-ME710110----
L-Glutamic acidGlutamic acidME71001333032C00025--
L-Glutaminyl-L-LeucineGln-LeuME710397----
L-Glutaminyl-L-tyrosineGln-TyrME710518----
?-L-Glutamyl-L-glutamic acidGlu-GluME710050----
L-Glutathione oxidizedGlutathioneME70999665359C00127--
L-HistidineHistidineME7100776274C00135--
L-IsoleucineIsoleucineME7100006306C00407--
L-Isoleucyl-L-alanyl-D-arginine-ME710537----
L-KynurenineKynurenineME710037161166C00328--
L-(-)-MethionineMethionineME7100096137C00073--
LNK-ME710104----
L(+)-OrnithineOrnithineME7101696262C00077--
L-PhenylalaninePhenylalanineME7100036140C00079--
L-pyrrolysine-ME710202----
LQ1825000-ME710574----
L-(-)-SerineSerineME7100715951C00065--
L-TyrosineTyrosineME7100126057C00082--
L-Tyrosine methyl esterMethyl tyrosinateME71013170652C03404--
LU3453000-ME710167----
LucidulineLucidulineME710300----
lycopsamineLycopsamineME710445----
lys-tyrLys-TyrME710132----
Maleamic acidMaleamateME710019----
malonamic acid-ME710170----
Marimastat-ME710559----
Matairesinol-ME710616119205C10682--
mebutamate-ME7101936151---
Meglutol3-Hydroxymethylglutaric acidME7101811662C03761--
mephenesin-ME710530----
meprobamateMeprobamateME7100974064---
Meptazinol-ME71058941049---
MetalaxylMetalaxylME71054242586C10947--
metharbitalMetharbitalME7105364099---
MethionylleucineMet-LeuME710544----
MethionylphenylalanineMet-PheME710523----
MethotrexateMethotrexateME710476126941C01937--
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2...-ME710554----
Methyl (4E)-4,7-octadienoate-ME710275----
Methyl alpha-aspartylphenylalaninate-ME710096----
Methyl indole-3-acetateIndole-3-methyl acetateME71043974706C20635--
Methyl N-{[(2S)-1-(cyclohexylcarbonyl)-4-(3-fluoro...-ME7106547052041---
methyprylonMethyprylonME7105404162---
met-proMet-ProME710349----
met-tyrMet-TyrME710532----
MFCD00020424-ME710388----
MFCD00025555-ME710191----
MFCD00070502-ME710353----
MFCD01111382-ME710382----
MFCD01318772-ME710455----
MFCD02728197-ME710272----
MFCD03840564-ME710056----
MFCD15144952-ME710254----
ML-236CML 236CME710673----
MO4650000-ME7101187823C20334--
Monobutyl phthalateMonobutylphthalateME7101718575---
Mosapride-ME710323----
MukaadialMukaadialME710514----
mycosporineMycosporineME710192----
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)ace...-ME710335----
N~2~-Acetyl-L-ornithineN-AcetylornithineME710158----
N-(2-Amino-3-methylbutanoyl)glutamine-ME710235----
N2-DimethylguanosineN2,N2-DimethylguanosineME710622----
N-(2-Methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)pyr...-ME710325----
N-[(2S)-2-Hydroxypropanoyl]-L-phenylalanine-ME710599----
N-[(2S)-2-Hydroxypropanoyl]methionine-ME710125----
N-(3,4-Dihydroxyphenyl)glutamine-ME710059----
N-(3-acetamidopropyl)pyrrolidin-2-oneAcisogaME710410----
N4-AcetylcytidineN4-AcetylcytidineME710241----
N-(4-Methoxybenzyl)glutamine-ME710449----
N~6~-[(2R)-3,4-Dihydro-2H-pyrrol-2-ylcarbonyl]-L-l...-ME710683----
N~6~-(5-Oxo-D-isoleucyl)-L-lysine-ME710288----
N6-Me-AdenosineN6-MethyladenosineME7102371869---
N(6)-OH-Me-Adenosine-ME710632127187---
N8-AcetylspermidineN8-AcetylspermidineME710321123689C01029--
N-acetyl-beta-D-glucosaminylamineN-Acetyl-beta-glucosaminylamineME710519----
N-AcetylhistamineN-AcetylhistamineME71029369602C05135--
N-acetyl-L-2-aminoadipic acidN-Acetyl-2-aminoadipic acidME710596----
N-Acetyl-L-carnosineN-AcetylcarnosineME710264----
N-acetyl-LL-2,6-diaminopimelic acid-ME710303----
N-Acetyl-L-leucineN-AcetylleucineME71048870912C02710--
N-acetyl-N-hydroxy-L-ornithine-ME710207----
N-Acetylnorvaline-ME710250306106---
N-AcetylserotoninN-AcetylserotoninME710224903C00978--
N-AcetylvalineN-AcetylvalineME710582227752---
N-Aceyl-L-tyrosine-ME71030868310---
NadololNadololME71024339147---
N-(Carboxyacetyl)phenylalanine-ME710463----
N-(Carboxymethyl)norleucine-ME710405----
N-Desmethyltramadol-ME710280198555---
Ne-AcetyllysineN6-AcetyllysineME71016292832C02727--
N-EthylsuccinimideN-EthylsuccinimideME710225----
n-Hexanamide-ME710644----
NicotinamideNiacinamideME710005936C00153--
Nicotinuric acidNicotinuric acidME71024268499C05380--
Nitrosoguvacoline-ME710479----
N-lauroylglycineNAGly 12:0ME710400----
N-Methyl-2-pyrrolidoneN-Methylpyrrolidin-2-oneME71056913387C11118--
N-MethylhexanamideN-Methyl hexanamideME710495----
N,N-Bis(2-hydroxyethyl)dodecanamideLauroyl diethanolamideME710506----
N,N'-Diethylthiourea-ME710570----
N,N-Diisopropylethylamine (DIPEA)-ME71020381531---
N,N-dimethylarginineDimethylarginineME710221----
N-NonanoylglycineN-NonanoylglycineME710195----
Norketamine-ME710377123767---
NP-001346-ME710073----
NP-005146-ME710624----
NP-009314-ME710502----
NP-011220-ME710558----
NP-011548-ME710640----
NP-012616-ME710648----
NP-013176-ME710270----
NP-016455-ME710526----
NP-018661-ME710347----
NP-018716-ME710394----
NP-020014-ME710461----
NP-020078-ME710573----
NP-020439-ME710670----
N-Phenyl-beta-D-glucopyranosylamine-ME710385----
N-PropanoylimidazoleN-PropanoylimidazoleME710226----
N-Succinyl-L-diaminopimelic acidN-Succinyl-L,L-2,6-diaminopimelateME710083----
N(tau)-Methyl-L-histidine-ME710255----
N-(tert-Butoxycarbonyl)-L-leucine-ME710041----
N-Tridecanoylglycine-ME710173----
N-UndecanoylglycineN-UndecanoylglycineME710024----
N-valeryl-Glycine-ME710373----
O-(3-Carboxypropanoyl)homoserine-ME710512----
ophthalmic acidOphthalmic acidME710051----
OstholOstholeME71046610228C09280--
Oxirane, 2-(6-heptenyl)-3-(2,4-pentadiynyl)--ME710433----
Palmitic AcidPalmitic acidME710239----
Panthenyl ethyl ether-ME710113----
PEG-4-ME710478----
PEG n5Pentaethylene glycolME71037162551---
PEG n6-ME71013817472---
PEG n7-ME71022879718---
PEG n8-ME71020978798---
pentabamate-ME710200----
pentahomomethioninePentahomomethionineME710212----
Pentahomoserine-ME710157----
pentobarbitalPentobarbitalME7101344737---
PENTOTHAL-ME7102273000715C07521--
Pentyl isothiocyanate-ME710621----
Perazine-ME7104844744---
Perzinfotel-ME710395----
phe-glnPhe-GlnME710472----
PhenethylaminePhenylethylamineME7103241001C05332--
PhenylacetylglycinePhenylacetylglycineME71005268144C05598--
Phenylisocyanate-ME710248----
phosphoethanolaminePhosphoethanolamineME7101331015C00346--
Phthalic acidPhthalic acidME7100281017C01606--
p-Hydroxybenzalacetone-ME710471----
Pipecolic acidPipecolic acidME710015849---
PirimicarbPirimicarbME71034531645C11079--
PivagabinePivagabineME710553----
(+)-podocarpic acidPodocarpic acidME710490----
Polygonolide-ME710629----
PPH-ME710614----
Pramiracetam-ME710649----
Pro-Hyp-ME710153----
Prolinamide-ME710063550774---
ProlineProlineME710370145742C00148--
ProlylleucinePro-LeuME710152444109---
pro-phePro-PheME710358----
Pro-ProPro-ProME710378----
pro-thrPro-ThrME710309----
pro-trpPro-TrpME710642----
Pro-tyrPro-TyrME710362----
Pseudopelletierinepsi-PelletierineME710423----
Purinol-ME710128----
PyridoxalPyridoxalME7104251050C00250--
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME7102231051C00018--
PyridoxaminePyridoxamineME7102531052C00534--
Pyrone-ME710168----
QV1MVO1R-ME710165----
(R)-3-Hydroxy myristic acid-ME7105815288266---
(+)-RetronecineRetronecineME710598----
riboflavin cyclic 4',5'-phosphate-ME710177----
RimantadineRimantadineME7104375071C07236--
(R)-Salsolinol(R)-SalsolinolME71010254456---
S-(1H-Indol-3-ylmethyl)-L-cysteine-ME710474----
S-3-oxodecanoyl cysteamine-ME710082----
S-AdenosylhomocysteineS-AdenosylhomocysteineME710023439155C00021--
S-Allyl-L-cysteineS-AllylcysteineME710035----
Sarpogrelate-ME710638----
S-Benzyl-D-cysteine-ME710659----
Sebacic acidSebacic acidME7103685192C08277--
senkyunolide B-ME710206----
Ser-metSer-MetME710507----
ser-trpSer-TrpME710500----
SeryltyrosineSer-TyrME710258----
Shogaol-ME7104605281794C10494--
shrimp shell-ME710326----
Sodium [dodecanoyl(methyl)amino]acetate-ME710531----
spermidineSpermidineME7101151102C00315--
StyreneStyreneME710534----
Suberic acidSuberic acidME71027910457C08278--
Succinic acidSuccinic acidME7100841110C00042--
Succinic anhydrideSuccinic anhydrideME710143----
SuccinylacetoneSuccinylacetoneME710401----
SuccinyladenosineSuccinyladenosineME710093----
Sulcatol(R)-SulcatolME71030720745C07288--
Sulforaphane-ME710561----
TaurineTaurineME7100671123C00245--
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME710365387316---
Taurocholic acidTaurocholic acidME7105756675---
Tenuazonic acidTenuazonic acidME710645----
terizidone-ME710399----
testolic acidTestolic acidME710606----
TestosteroneTestosteroneME7106476013C00535--
Tetradecanedioic acidTetradecanedioic acidME71050413185---
Tetrahydro-5-oxo-2-furanacetic acid-ME710017----
Tetramethylurea-ME710631----
ThiorphanThiorphanME710120----
ThreonylleucineThr-LeuME710137----
thr-trpThr-TrpME710643----
thr-tyrThr-TyrME710268----
THTA2-Tetrahydrothiopheneacetic acidME710218----
ThymidineThymidineME7104085789C00214--
ThymineThymineME7102901135C00178--
Timonacic-ME710075----
TKK-ME710069----
tricholomic acidTricholomic acidME710042----
Triethylene glycol monobutyl ether-ME7101798923---
trihomomethionineTrihomomethionineME710529----
Trimethylenetetraurea-ME710364----
Triphenyl phosphateTriphenyl phosphateME7106398289C14235--
Tris(2-butoxyethyl) phosphate-ME7100046540C14446--
Tris(2-chloroethyl) phosphate-ME7102618295C14445--
TroxipideTroxipideME710240----
Trp-PheTrp-PheME710587----
Trp-ValTrp-ValME710572----
TussilagineTussilagineME710415----
TyrosylalanineTyr-AlaME7104474078684---
TyrosyltyrosineTyr-TyrME710426----
tyr-thrTyr-ThrME710251----
UNII:N506B45LBE-ME710613----
UracilUracilME7100381174C00106--
Ureidopropionic acidUreidopropionic acidME710160111C02642--
Uric acidUric acidME7100811175C00366--
Urocanic acidUrocanic acidME710105736715C00785--
US4550000-ME710294----
ValaciclovirValaciclovirME710215----
val-asnVal-AsnME710213----
ValineValineME710011----
Val-LeuVal-LeuME710149----
val-pheVal-PheME710480----
ValylvalineVal-ValME710348----
VanillinVanillinME710451----
Veliparib-ME710579----
Veronal5,5-Diethylbarbituric acidME7104542294---
VLH-ME710305----
VLK-ME710501----
Voglibose-ME710088----
Vorinostat-ME710265----
XanthineXanthineME7100071188C00385--
ZalcitabineZalcitabineME71017524066C07207--
zindotrine-ME710273----
ZINGEROL-ME710421----


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-ME7108315312738---
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME71083074300C02774--
10-oxo-8-decenoic acid-ME710796----
10-oxocapric acid-ME710733----
(10S)-Juvenile hormone III diol-ME710920----
11-Aminoundecanoic acid11-Aminoundecanoic acidME710983----
(+/-)12(13)-DiHOME12,13-DiHOMEME71095710236635---
12-Epileukotriene B412-epi-LTB4ME7110125283130---
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME71095279034C08317--
13,14-Dihydro-15-keto Prostaglandin A213,14-Dihydro-15-keto-PGA2ME710814----
13,14-dihydro-15-keto Prostaglandin E213,14-Dihydro-15-keto-PGE2ME710959----
13,14-Dihydro-15-keto Prostaglandin J2-ME710782----
1-(3,5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl ac...-ME71085814779700---
1,3-Dihydroxy-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15...-ME710937----
1-(3-Furyl)-1,4-pentanediol-ME710854----
1,3-Nonanediol acetate-ME711009----
1-(4-Hydroxy-3,5-dimethoxyphenyl)-1,2,3-propanetri...-ME710906----
1,5-Anhydro-D-erythro-hexo-2,3-diulose-ME710747----
(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid-ME71097224066906---
16-Hydroxyhexadecanoic acidJuniperic acidME71084410466C18218--
1-arachidonoyl-sn-glycero-3-phosphoethanolamineLPE 20:4/0:0ME710721----
1-deoxy-D-altro-heptulose 7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME710738----
1-Dodecanesulfonic acid-ME71080615192---
1-nonanoic acid-ME7109028158C01601--
1-O-Phosphonopentitol-ME710760----
(1S,5R)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl b...-ME710970----
20-hydroxy Leukotriene B420-Hydroxy LTB4ME7109155280745---
2,3,4,5-Tetrahydroxypentanal-ME710954----
2,6-Dideoxy-3-C-methyl-beta-L-ribo-hexopyranose-ME710956----
2,6-Dideoxy-3-O-methyl-L-arabino-hexopyranose-ME710943----
2-Acetamido-2-deoxy-D-gluconolactone-ME710821----
2-Acetyl-5-hydroxyphenyl hydrogen sulfate-ME710809----
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid-ME710992----
2-(Acetylamino)hexanoic acid-ME710835306142---
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME710921----
2-Aminooctanedioic acid-ME71093677937---
2-Deoxyhexopyranose-ME710752----
2'-deoxymugineic acid-ME710922----
(2E)-3-[4-(Sulfooxy)phenyl]acrylic acid-ME710744----
(2E,4E)-2,4-Heptadien-1-ol-ME710749----
2-Ethylhexyl sulfate-ME710773----
2-Hydroxy-2-(2-oxopropyl)succinic acid-ME710743----
2-Hydroxy-4-(4-hydroxyphenyl)butanoic acid-ME71099817760167---
2-Hydroxy-4-oxopentanoic acid-ME710819----
2-Hydroxy-6-methoxy-4-vinylphenyl hydrogen sulfate-ME710900----
2-Hydroxyhippuric acidSalicyluric acidME71086310253C07588--
2-Hydroxymyristic acid2-Hydroxymyristic acidME7108901563---
2-Keto-glutaramic acid2-Keto-glutaramic acidME710876----
2-Methylbutyl beta-D-glucopyranoside-ME711005----
2-methylcitric acid2-Methylcitric acidME710731----
2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitr...-ME7109532820809---
2-Naphthalenesulfonic acid-ME7107368420C16202--
2-Oxo-1,2-diphenylethyl hydrogen sulfate-ME710792----
(2R)-2,3-Dihydroxypropanoic acidGlyceric acidME710802439194C00258--
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phos...-ME710823----
(2R,3S)-3-isopropylmalic acid-ME710908----
(2S)-2-Amino-8-oxodecanoic acid-ME710828----
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine-ME710882----
3-[(2Z)-1-Hydroxy-2-buten-2-yl]pentanedioic acid-ME710988----
3,3-Dimethylglutaric acid-ME71082620984---
3,4-Dimethylbenzoic acid3,4-Dimethylbenzoic acidME71093112073---
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...-ME710917----
3,4-Methylenesebacic acid-ME710779----
3,5-Dimethoxybenzoic acid-ME71100414332---
3-Allyl-2-hydroxybenzoic acid-ME710994261627---
3-Hydroxybutyric acid3-Hydroxybutyric acidME710718441---
3-Hydroxynonanoic acid-ME711010----
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME710939----
3-Hydroxysebacic acid3-Hydroxysebacic acidME710795----
3-Hydroxysuberic acid3-Hydroxysuberic acidME710974----
3-Isopropenylpentanedioic acid-ME710801----
3-Methyladipic acid3-Methyladipic acidME71077212292---
3-Methylazelaic acid-ME710918----
3-Methylglutarate-ME71084212284---
3-Methylglutaric acidMethylglutaric acidME71073012284---
3-Oxooctanoic acid-ME710726----
3-oxopalmitic acid-ME710978----
3-tert-Butyladipic acidSebacic acidME71076898967---
4-(5,6-Dihydroxy-6-methyl-1-hepten-2-yl)-1-methyl-...-ME710976----
4,5-Dideoxypentonic acid-ME710859----
4-Hydroxy-2-oxoheptanedioic acid4-Hydroxy-2-oxo-heptanedioic acidME710741----
4-Hydroxy-4-methyl-2-oxohexanedioic acid-ME710853----
4-Hydroxy-L-threonine4-HydroxythreonineME710843----
4-(Hydroxymethyl)benzenesulfonic acid-ME710734----
4-(hydroxymethyl)benzoic acid-ME710771----
4-Hydroxyprolylleucine-ME711020----
4-Hydroxyprolyltyrosine-ME710755----
4-Methylene-2-oxoglutarate2-Methylene-4-oxopentanedioic acidME710754----
4-Pyridoxic acid4-Pyridoxic acidME7108416723C00847--
(4R)-5-Hydroxy-L-leucine-ME710851----
5-[({(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyraz...-ME71090440779355---
5-Aminovaleric acid5-Aminopentanoic acidME710729138C00431--
5-Hydroxy-DL-tryptophan5-Hydroxy-DL-tryptophanME710857144C01017--
5-Hydroxytryptophan5-Hydroxy-tryptophanME710967144C01017--
5-Hydroxyvalproic acid-ME710864----
5-OxoETE5-Oxo-ETEME7109855283159---
(5Z,5'Z)-5,5'-[Disulfanediylbis({(3Z)-3-[(2-carbox...-ME710963----
(5Z,8Z)-5,8-Tetradecadienoic acid-ME710865----
6-[(6-Aminohexanoyl)amino]hexanoic acid-ME710872----
6-Deoxy-D-arabino-hexos-2-ulose-ME710724----
6-Hydroxycaproic acid6-Hydroxycaproic acidME71086114490C06103--
6-keto Prostaglandin F1?-ME710990----
6-Oxohexanoic acid-ME710727----
(6R,8Z)-6-Hydroxy-3-oxo-8-tetradecenoic acid-ME710869----
7-Mercaptoheptanoylthreonine-ME710935----
7Z,10Z-Hexadecadienoic acid7Z,10Z-Hexadecadienoic acidME710987----
8-(4-Sulfophenyl) octanoic acid-ME71094253987276---
8-(5-Pentyl-2-furyl)octanoic acid-ME711016----
8-Amino-7-oxononanoic acid8-Amino-7-oxononanoic acidME710874----
8-Hydroxyoctanoic acid8-Hydroxyoctanoic acidME710732----
8-Iso-15-keto-prostaglandin-F2ß-ME710930----
8(S)-Hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoic acid8S-HETEME7109605283154C14776--
(±)9-HpODE9S-HpODEME711013----
9-Hydroxy-10-undecenoic acid(S)-9-Hydroxy-10-undecenoic acidME710848----
9-Oxononanoic acid9-Oxo-nonanoic acidME710783----
A-12(13)-EpODEalpha-12(13)-EpODEME710969----
a,a-TrehaloseTrehaloseME710791----
acalyphinAcalyphinME710962----
AcamprosateAcamprosateME71090771158---
AceglutamideN-Acetylglutamic acidME710895182230---
AdenosineAdenosineME71070660961C00212--
Adenylsuccinic acidAdenylsuccinic acidME710716----
Adipic acidAdipic acidME710740196C06104--
AI8940000-ME71098015719---
ala-ileAla-IleME710836----
.alpha.-Aminoadipic acidalpha-Aminoadipic acidME710805469---
alpha-ketoadipic acidOxoadipic acidME710748----
alpha-Ketoglutaric acid2-Oxoglutaric acidME71069351C00026--
.ALPHA.-TOCOPHERONIC ACID-ME710971----
Aminohippuric acidAminohippuric acidME7108342148---
Arachidonic acidArachidonic acidME710711444899C00219--
asn-valAsn-ValME710781----
asp-asnAsp-AsnME710800----
asp-ileAsp-IleME710912----
AspirinAspirinME7109492244C01405--
Azelaic acidAzelaic acidME7109242266C08261--
Bicyclo prostaglandin E2Bicyclo-PGE2ME7108875283043---
Bis(2,3-dihydroxypropyl) 2-hydroxy-1,3-propanediyl...-ME710870----
ButabarbitalButabarbitalME7106982479---
Caprylic acidCaprylic acidME710770379C06423--
CapryloylglycineCapryloylglycineME71072284290---
CAPSO-ME7108112733480---
Cholic acidCholic acidME710742221493C00695--
cis-4-Decenedioic acid4Z-Decenedioic acidME710815----
cis-4-Octenedioic acid-ME710919----
cis-5,8,11,14,17-Eicosapentaenoic acidEPAME710905----
cis-7-Hexadecenoic acid-ME7108735318393---
Citric acidCitric acidME710694311C00158--
Clavamycin E-ME710866----
CreatineCreatineME710728586C00300--
D-(-)-3-Phosphoglyceric acid3-Phosphoglyceric acidME710793----
D-4-PHOSPHOERYTHRONIC ACID-ME710825----
D-a-Hydroxyglutaric acid-ME710714----
Decanoic acidCapric acidME7108852969C01571--
Deoxycholic acidDeoxycholic acidME710799222528---
D-(-)-ErythroseErythroseME710695----
D-Gluconic acidGluconic acidME71076210690C08038--
d-Gluconic acid d-lactone-ME710818----
D-Glucono-delta-lactone-ME7107787027C00198--
dihydroxyphenylalanineDOPAME710868----
DL-4-Hydroxyphenyllactic acidHydroxyphenyllactic acidME7108459378C03672--
DL-5-Fluorotryptophan-ME710871----
DL-a-Aminocaprylic acid-ME710789----
DL-AlanineAlanineME710765602C01401--
DL-Glutamic acidGlutamic acidME710707----
DL-Lactic Acid-ME710687612C01432--
DL-Malic acidMalic acidME710700525C00711--
DL-Mevalonic acid-ME710894449---
DL-ß-LeucineLeucineME710690----
Docosapentaenoic acidDocosapentaenoic acidME7108395497182C16513--
Dodecanedioic acidDodecanedioic acidME71101512736C02678--
Dodecyl sulfateBlasticidin SME7106928778C08031--
D-PANTOTHENIC ACIDPantothenic acidME7106976613C00864--
D-Ribulose 5-phosphateRibulose 5-phosphateME710745439184C00199--
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME71076622833559---
D-(+)-TryptophanD-TryptophanME7107039060C00525--
D-Xylonic acidXylonic acidME710899----
D-Xylulosonic acid-ME710808----
(E)-Ferulic acidtrans-Ferulic acidME711002445858C01494--
Eicosapentaenoic acidEicosapentaenoic acidME710833446284C06428--
(E)-p-coumaric acid-ME710879637542C00811--
FADFADME710750643975---
Ferulic acid 4-sulfateFerulic acid 4-sulfateME710774----
Flavin mononucleotide (FMN)FMNME710746643976C00061--
furoic acid2-Furoic acidME71089372886C00506--
Galacturonate 1-phosphate-ME710850----
gamma-Glutamyl-N~5~-acetylornithine-ME710889----
gamma-Glutamyl-S-(hydroxymethyl)cysteinylglycine-ME710982----
gamma-Jasmolactone-ME710984----
gamma-L-glutamyl-L-tyrosine-ME710786----
gln-pheGln-PheME710955----
Glucose 1-phosphateGlucose 1-phosphateME71073565533C11450--
Glu-GluGlu-GluME710758----
Glycerol 3-phosphatesn-Glycero-3-phosphateME710702754C03189--
Glycylglutamic acidGly-GluME710911----
Glycyl-L-leucineGly-LeuME71090392843C02155--
Gly-PheGly-PheME710945----
guaiacol sulfateGuaiacol sulfateME710838----
GuanineGuanineME710901764C00242--
Hexadecanedioic acidHexadecanedioic acidME71088310459C19615--
HexanoylglycineHexanoylglycineME71095099463---
HexitolSorbitolME710769----
HexoseHexoseME710691----
his-aspHis-AspME710751----
Homovanillic acidHomovanillic acidME7109791738C05582--
Homovanillic acid sulfate-ME711003----
HydrochlorothiazideHydrochlorothiazideME7109583639---
Hydroxy acrylic acidHydroxyacrylic acidME710775----
Hydroxycaproic acidHydroxycaproic acidME71080499824---
hydroxycitric acidGarcinia acidME710780----
α-Isopropylmalate-ME71083277---
ile-tyrIle-TyrME711000----
α-N-AcetylcitrullineN-AcetylcitrullineME710975----
Indole-3-acryloylglycine-ME710847----
Indole-3-lactic acidIndole-3-lactic acidME71098692904C02043--
IpA-ME710878----
Isobutyric acidIsobutyric acidME7109266590C02632--
Isovalerylglutamic acid-ME710813----
Juniperic acidJuniperic acidME71097710466C18218--
L-(-)-3-Phenyllactic acidL-3-Phenyllactic acidME710881444718---
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-...-ME710896----
L-(+)-Aspartic acidAspartic acidME7107015960C00049--
Lauric acidLauric acidME7109293893C02679--
L-Cysteinylglycine disulfideCysteinylglycine disulfideME710790----
L-decyline-ME710999----
LeucyltryptophanLeu-TrpME711001----
LeucyltyrosineLeu-TyrME710966----
leu-glnLeu-GlnME710981----
Leu-LeuLeu-LeuME710877----
leu-pheLeu-PheME710784----
Leu-ValLeu-ValME710910----
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME710932----
L-Glutamic acidGlutamic acidME71069933032C00025--
L-Glutaminyl-L-LeucineGln-LeuME710989----
L-Glutathione oxidizedGlutathioneME71068965359C00127--
L-Glutathione (reduced)GlutathioneME710817124886C00051--
L-HistidineHistidineME7107766274C00135--
L-PhenylalaninePhenylalanineME7106966140C00079--
L-pyrrolysine-ME710812----
LT9970000-ME71099343359C18912--
L-(+)-Tartaric acidTartaric acidME710713444305---
L-TyrosineTyrosineME7107096057C00082--
Matairesinol-ME710849119205C10682--
MBPMonobutylphthalateME7109738575---
mephenesin-ME710891----
met-gluMet-GluME710855----
MethionylleucineMet-LeuME711018----
Methyl 3-hydroxyhexanoate-ME710938----
Methylmalonic acidMethylmalonic acidME710686487C02170--
Methylsuccinic acidMethylsuccinic acidME71072510349---
MFCD00059633-ME710997----
MFCD00137562-ME710898----
MFCD00672375-ME710822----
MFCD03548046-ME7108624078684---
MFCD12546417-ME710892189003C06674--
MO7700000-ME7110118697---
Mono(2-ethylhexyl) phthalate (MEHP)Monoethylhexyl phthalic acidME71088020393C03343--
Monobenzyl phthalateMonobenzyl phthalateME71078831736---
Monobutyl phthalateMonobutylphthalateME7107398575---
monomethyl phosphateMethanolphosphateME710720----
Myristic acidMyristic acidME71091311005---
Myristoleic acidMyristoleic acidME711014----
Myrmicacin-ME71088426612---
N-(1H-Pyrrol-2-ylcarbonyl)glycine-ME710886----
N-(2-Cyanoethyl)-L-glutaminegamma-Glutamyl-beta-aminopropiononitrileME710951----
N-[(2S)-2-Hydroxypropanoyl]-L-tryptophan-ME711007----
N-[(2S)-2-Hydroxypropanoyl]methionine-ME710794----
N-[(3E)-3-Heptenoyl]glycine-ME711008----
N-AcetylalanineN-AcetylalanineME71084688064---
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME71082065065C01042--
N-acetyl-LL-2,6-diaminopimelic acid-ME710816----
N-Acetylneuraminic acidN-Acetylneuraminic acidME710852444885C19909--
N-Acetylnorvaline-ME710837306106---
N-AcetylvanilalanineN-AcetylvanilalanineME711006----
N-Arachidonoyl taurineN-Arachidonoyl taurineME71077742607331---
N-(Carboxycarbonyl)-L-homoserine-ME710767----
N-feruloylglycineN-FeruloylglycineME710867----
N-IsovalerylglycineIsovalerylglycineME710763546304---
N-MethylglutamateN-Methyl-glutamic acidME710803----
Nonanoic acidPelargonic acidME7107578158C01601--
NP-008309-ME710948----
NP-012551-ME710968----
NP-018661-ME710860----
NP-018716-ME710991----
NP-021797-ME710996----
NP-022394-ME710965----
N-Phenylacetylglutamic acidN-Phenylacetylglutamic acidME710995----
N-Succinyl-L-diaminopimelic acidN-Succinyl-L,L-2,6-diaminopimelateME710787----
N-(tert-Butoxycarbonyl)-L-leucine-ME711019----
N-Tridecanoylglycine-ME710946----
N-UndecanoylglycineN-UndecanoylglycineME710704----
octenedioic acidOctenedioic acidME710928----
ophthalmic acidOphthalmic acidME710797----
pentahomomethioninePentahomomethionineME710927----
PhenindionePhenindioneME710685----
PhenylacetylglycinePhenylacetylglycineME71071068144C05598--
PHENYLBUTYRIC ACIDPhenylbutyric acidME7108564775---
phe-thrPhe-ThrME710916----
phosphopantothenic acid-ME710807----
Pinolenic acidPinolenic acidME7109145312495---
PivagabinePivagabineME710875----
Pro-GluPro-GluME710897----
PropylparabenPropylparabenME7109237175---
Prostaglandin K1PGK1ME71093416061102---
Pyrophosphoric Acid-ME710764----
Pyruvic acidPyruvic acidME7107191060C00022--
QV1MVO1R-ME710756----
Resolvin E1Resolvin E1ME71096410473088---
RH0365500-ME71094069522---
RiboflavinRiboflavinME711017493570---
(+)-RiboflavinRiboflavinME710933----
S-[2-({N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphono...-ME710961----
Salicylic acidSalicylic acidME710759338C00805--
sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME710888----
Spaglumic acidN-Acetyl-Asp-GluME7107175255C12270--
Suberic acidSuberic acidME71072310457C08278--
SuccinyladenosineSuccinyladenosineME710737----
Sulfosalicylic AcidSulfosalicylic acidME7107987322---
Sulfuric acid-ME710715----
TaurineTaurineME7107121123C00245--
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME710810387316---
Terephthalic acidTerephthalic acidME7106887489C06337--
Tetradecanedioic acidTetradecanedioic acidME71082413185---
THREONIC ACID, L--ME710705----
ThreonylleucineThr-LeuME710941----
Thromboxane B2TXB2ME7109445283137---
thr-tyrThr-TyrME710947----
Traumatic AcidTraumatic acidME710909----
trp-gluTrp-GluME710840----
tyr-gluTyr-GluME710785----
TyrosylleucineTyr-LeuME711021----
val-gluVal-GluME710761----
Val-LeuVal-LeuME710827----
val-pheVal-PheME710925----
Vitamin CVitamin CME710753----
Xylenesulfonate-ME71070814756---
XylitolXylitolME7108296912C00379--


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-EpETrEME71123440490664---
1,1,6-Trimethyl-1,2-dihydronaphthalene-ME711127----
11-Aminoundecanoic acid11-Aminoundecanoic acidME711372----
11-Nitro-1-undecene-ME711327----
1,2,3,4-Tetrahydro-β-carboline-3-carboxylic aci...-ME71146398285---
1,2,3,4-Tetramethyl-1,3-cyclopentadiene-ME711289138163---
1-(2,5-Dimethyl-3-thienyl)ethanone-ME711457----
1,3,5-Heptatriene-ME711296----
1-(3-Amino-2,3-dideoxypentofuranosyl)-5-methyl-2,4...-ME711324----
1-(4-Hydroxyphenyl)-1-decene-3,5-dione-ME711385----
1-(4-nitrophenyl)piperidine-ME711311----
15-(5-hydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-te...-ME711410----
1,5,7-Trimethyltetralin-ME711349----
1,5-Naphthalenediamine1,5-NaphthalenediamineME71133816720C19463--
15(R)-Lipoxin A4-ME7113459841438---
1-(6-hydroxy-3-pyridyl)-4-(methylamino)butan-1-one-ME711265----
(1E)-N-Hydroxy-4-(methylsulfanyl)-1-butanimine-ME711113----
1-Hexadecanoylpyrrolidine-ME711260----
1-Linoleoyl glycerolMG 18:2ME7113665283469---
1-Methylhistidine1-MethylhistidineME711173352019---
1-Methylimidazoleacetic acid-ME71109375810C05828--
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione-ME711460----
1-Piperideine1-PiperideineME711321----
1-Vinylimidazole-ME71107466171---
2,2,6,6-Tetramethyl-4-piperidinol-ME71118975471---
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic a...-ME711335----
2,2'-Iminodipropan-1-ol-ME711026----
235BBF3K97-ME711230----
2,3-Methyleneglutaric acid-ME711494----
2-(3-Phenylpropyl)tetrahydrofuran-ME711079----
2,4,5-Trimethoxybenzaldehyde-ME71134320525---
2,4-DIMETHYL-2-IMIDAZOLINE-ME711350----
2,4-Dimethyl-5,6,7,8-tetrahydroquinoline-ME711493----
2,6-Dimethylpyrazine-ME7110497938---
2-Acetyl-4-methylpyridine-ME711204----
2'-Amino-2,3-biphenyldiol-ME711208----
2-Amino-3-methoxybenzoic acid3-Methoxyanthranilic acidME711213255720C05831--
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tet...-ME711176----
2-Aminoisobutyric acidAminoisobutyric acidME7111756119C03665--
2-Amino-N,N-diethylacetamide-ME711130420729---
2-Aminooctadec-4-yne-1,3-diol-ME7112612802958---
2-Arachidonoyl glycerolMG 20:4ME7112625282280C13856--
2-Butenedioic acid (2Z)-, dioctyl ester-ME711387----
2'-DeoxyadenosineDeoxyadenosineME71127013730C00559--
2'-DeoxycytidineDeoxycytidineME711036----
2'-DeoxyinosineDeoxyinosineME71150065058C05512--
2-(Diethylamino)ethanol-ME7112477497---
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine-ME711220----
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde-ME711030----
(2E)-3-(Carbamimidoylsulfanyl)acrylic acid-ME711409----
(2E,4E,16Z)-1-(1-Piperidinyl)-2,4,16-icosatrien-1-...-ME711505----
(2E,4Z,12E)-1-(1-Piperidinyl)-2,4,12-octadecatrien...-ME711408----
2-Hydroxy-N-(2-hydroxyethyl)propionamide-ME711092----
2-Isobutyl-3-methylpyrazine-ME711160----
2-Pyrrolidone2-PyrrolidinoneME711170----
2-Quinolinecarboxylic acidQuinaldic acidME7111157124C06325--
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...-ME711101----
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...-ME711248----
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...-ME711242----
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenyletho...-ME711280----
(2S)-2-Amino-8-hydroxyoctanoic acid-ME711156----
(2S)-2-Piperazinecarboxamide-ME711274----
2S-Amino-tridecanoic acid2S-Aminotridecanoic acidME711411----
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid-ME711132----
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine-ME711224----
3-(3,4-dihydroxyphenyl)propanoic acid3,4-Dihydroxyhydrocinnamic acidME711060----
3-(4-hydroxy-3-methoxyphenyl)propanoic acidDihydroferulic acidME711108----
3-Aminosalicylic acid3-Aminosalicylic acidME71131668443---
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4a...-ME711351----
3-Buten-1-amine3-Buten-1-amineME711235----
3-Carbamoyl-2-phenylpropionic acid-ME711370----
3-Hydroxy-2,4,5-pyridinetrimethanol-ME711239----
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinalde...-ME711507----
3-Methyl-1-phenyl-2-butene-ME711337----
3-Methylcrotonylglycine3-MethylcrotonylglycineME711509169485---
3-Methylcyclopentene-ME711058----
3-Methylhistidine3-MethylhistidineME711245565965---
3-Methylsulfolene-ME711047----
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-...-ME711243----
3-Thiomorpholinecarboxylic acidThiomorpholine-3-carboxylic acidME711400----
4-[(3-Acetamidopropyl)amino]butanoic acidN-AcetylisoputreanineME711269----
4,4'-Bipyridine-ME711340----
4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile-ME711168----
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)...-ME711472----
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME71132318189C02946--
4alpha-hydroxymethyl-4beta-methylzymosterol-ME711119----
4-Aminobenzoic acidp-Aminobenzoic acidME711253978C00568--
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME711339126C00633--
4-Hydroxyprolylleucine-ME711497----
4-Hydroxyprolyllysine-ME711281----
4-IndolecarbaldehydeIndole-4-carboxaldehydeME711153333703---
4-Methylcarbostyril-ME711310----
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol-ME711300----
4-Pyridineacetic acid-ME71112934228---
4-Pyridoxic acid4-Pyridoxic acidME7111376723C00847--
(4S)-4-(2-Sulfanylpropyl)-4H-imidazole-2,5-diol-ME711344----
5-[2-(3-Furyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,...-ME71136245359865---
5,6-Dihydrothymidine5,6-DihydrothymidineME711178----
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one-ME711048----
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid-ME711445----
5-Butyloxazole-ME711110----
5-Heptyl-2-oxotetrahydro-3-furancarboxylic acid-ME711308----
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME7110871826C05635--
5-Methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-1,...-ME7114332805660---
5-Methylbenzotriazole-ME7114218705---
5-Methylcytidine5-MethylcytidineME711073----
5-Methylcytosine5-MethylcytosineME71110065040C02376--
5-methyldeoxycytidine5-MethyldeoxycytidineME711098440055C03592--
5-methylthioribose5-MethylthioriboseME711283----
5(S)-HpEPE5S-HpEPEME7112665283194---
6-[(1E,3Z,5E,7E,9E,11Z)-13-Hydroxy-3,7,12-trimethy...-ME711504----
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norle...-ME711149----
6-Amino-1,3-dimethyluracil-ME71131581152---
6-Aminonicotinic acid-ME71125918496---
6-Hydroxy-9,9-dimethyl-5-(3-methylbutanoyl)-1-prop...-ME711210----
6-(Methoxymethyl)-2-(2-methyl-1,3-thiazol-4-yl)pyr...-ME7113922744811---
6-Methoxyquinoline6-MethoxyquinolineME71120114860---
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol-ME711212----
6-Methyl-2-pyridinemethanol-ME71140570736---
6-Methylnicotinamide-ME71102596351---
6-Methylquinoline6-MethylquinolineME7110617059---
6-methyltetrahydropterin6-MethyltetrahydropterinME711440----
6-Oxo-pipecolinic acid-ME711089----
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol-ME711371----
7,8-Bis(hydroxymethyl)-1,4a-dimethyl-3,4,4a,5,6,7-...-ME71121445359408---
7,8-Dihydrobiopterin7,8-DihydrobiopterinME711496252C02953--
7-Methylguanine7-MethylguanineME71116311361C02242--
7-Octene-3,5-diyn-1-ol-ME711434----
(7S)-6-[(1R)-1-Hydroxyethyl]-2-imino-7-methyl-1,2,...-ME711394----
7-(tert-butyl)-4-imino-1,2,3,4,5,6-hexahydropyrido...-ME711142----
(+/-)8-HEPE8-HEPEME71122116061128---
9-Anthroic acid-ME711228----
9-Nitrooleate9-Nitrooleic acidME71148111645581---
AcadesineAICARME71145117513---
Acetoacetanilide-ME7111727592---
acetoacetic acidAcetoacetic acidME711328----
AcetophenoneAcetophenoneME7112057410C07113--
AcetylarginineN-AcetylarginineME711332102807---
AcetylcadaverineN-AcetylcadaverineME711426----
acetyltaurine-ME711131----
AC-LYS-OHN(2)-AcetyllysineME711263----
AdenineAdenineME711070190C00147--
AdenosineAdenosineME71103860961C00212--
AE4025000-ME71119011972---
afegostat-ME711258----
ala-cysAla-CysME711501----
ALA-PROAla-ProME711123----
Ala-ThrAla-ThrME711482----
AllantoinAllantoinME711116----
.alpha.-Aminoadipic acidalpha-Aminoadipic acidME711041469---
Aminohippuric acidAminohippuric acidME7113812148---
AniracetamAniracetamME7114702196C13355--
AnserineAnserineME711464112072C01262--
APM-ME711275----
APV-ME711314----
arg-alaArg-AlaME711461----
arg-leuArg-LeuME711485----
asn-valAsn-ValME711503----
asp-leuAsp-LeuME711364----
Asp-lysAsp-LysME711418----
Atropaldehyde-ME711298----
(+)-Australine-ME711478----
Basic Violet 1-ME711502164877---
Bemegride-ME711420----
Benzoxazolone2-BenzoxazololME711064----
Benzyl butyl phthalateBenzyl butyl phthalateME7110422347C14211--
.beta.-Alaninebeta-AlanineME711195239C00099--
Bethanidine-ME711319----
Bis(2-ethylhexyl) amine-ME7114537791---
Bis(2-ethylhexyl) phthalateBis(2-ethylhexyl)phthalateME7110568343---
Bis(3,5,5-trimethylhexyl) phthalate-ME711088----
Bis(methylbenzylidene)sorbitol-ME71106390474944---
butoctamide-ME711206----
Butyl isothiocyanate-ME711264----
C16 Lactosylceramide (d18:1/16:0)-ME711430----
C8-HSL-ME711356----
CaffeineCaffeineME7110532519C07481--
CaprolactamEpsilon-caprolactamME7111407768C06593--
capuride-ME711355----
CarteololCarteololME7113802583C06874--
Cedefingol-ME711342----
Cholest-4-en-3-oneCholestenoneME71124991477C00599--
CI-976-ME711219----
cis-2-Carboxycyclohexyl-acetic acidcis-2-Carboxycyclohexyl-acetic acidME711368----
Citroflex A-4-ME7114586505---
clomazone-ME71121154778C11095--
CodonopsineCodonopsineME711508----
CreatineCreatineME711027586C00300--
CreatinineCreatinineME711023588C00791--
CrotanecineCrotanecineME711124----
CY9070000-ME711246----
CyclohexylamineCyclohexylamineME7112157965C00571--
CyclopamineCyclopamineME711151----
Cyprodenate-ME711054----
CytidineCytidineME7110446175C00475--
CytosineCytosineME711045597C00380--
dacisteine-ME711282----
D-Alanyl-D-alanineD-Alanyl-D-AlanineME7114295460362C00993--
DeanolDimethylethanolamineME711062----
D-(+)-GlucoseGlucoseME7113845793C00293--
DiethanolamineDiethanolamineME711085----
Diethylamine-ME711076----
diethylcarbamazine-ME711322----
DihydrothymineDihydrothymineME71130393556C00906--
dimethylformamide-ME711389----
Dipropyleneglycol dibenzoate-ME711162101560---
Dipropylene glycol dimethyl ether-ME711225----
Djenkolic Acid-ME711414----
DL-2,6-Diaminopimelic acid-ME711257865---
DL-Ala-DL-Phe-ME711288----
DL-Glutamic acidGlutamic acidME711295----
DL-GlutamineGlutamineME711157738C00303--
DL-HomoserineHomoserineME711209----
DL-Metanephrine-ME71139621100C05588--
DL-SerineSerineME711174617C00716--
DL-ß-LeucineLeucineME711403----
DL-TryptophanTryptophanME7111821148C00806--
D-lysopine-ME711479----
D-Lysyl-L-valyl-D-valyl-L-allothreonine-ME711495----
D-PANTOTHENIC ACIDPantothenic acidME7110576613C00864--
D-(+)-ProlineD-ProlineME7110398988C00763--
D-SphingosineSphingosineME7111215280335---
EDDA-ME711359----
Edoxudine-ME711251----
(E,E)-2,4-Dodecadienal-ME711081----
EJ4025000-ME71122313542C19277--
Elaeokanine CElaeokanine CME711155----
EPK-ME711475----
epsilon-Caprolactone-ME71111710401---
EthoxyquinEthoxyquinME7114363293---
exalamide-ME711491----
FasoracetamFasoracetamME711442----
Fenfuram-ME71129990590C18833--
Formiminoglutamic AcidFormiminoglutamic acidME711363----
g-Aminobutyryl-lysine-ME711459----
g-Butyrobetaine-ME711144----
g-Guanidinobutyrate-ME711165500C01035--
GinkgotoxinGinkgotoxinME711506----
GlycocyamineGuanidoacetic acidME711158763C00581--
Glycyl-L-leucineGly-LeuME71130192843C02155--
Gly-LeuGly-LeuME71112592843C02155--
Guanidinoethyl sulfonateTaurocyamineME71149068340C01959--
GuanineGuanineME711317764C00242--
GuanosineGuanosineME7110786802C00387--
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...-ME711102----
Hexamethylenetetramine-ME711305----
HexylamineHexylamineME711107----
Hexylbenzene-ME711161----
Hippuric acidHippuric acidME711099464C01586--
His-proHis-ProME711183----
HistamineHistamineME711075774C00388--
histidinolL-HistidinolME711404----
Homo-L-arginineHomoarginineME711096----
homomethionineHomomethionineME711146----
Hopantenic acid-ME711376----
HypotaurineHypotaurineME711237107812C00519--
HypoxanthineHypoxanthineME711037790C00262--
ile-hisIle-HisME711435----
ile-pheIle-PheME711378----
Imagabalin-ME711416----
Imidazoleacetic acidImidazoleacetic acidME71142796215C02835--
IMINODIPROPIONIC ACID-ME711388----
InosineInosineME7110346021C00294--
Irgafos 168-ME71118191601---
Isopropyl beta-D-galactopyranoside-ME711439----
ISOXYL-ME71112641648C18432--
Kanosamine-ME711313164683---
KetamineKetamineME7111143821---
LactamideLactamideME71119894220---
L-Alanyl-L-glutamineAla-GlnME711412----
L-coprineCoprineME711255----
L-decyline-ME711484----
lentiginosineLentiginosineME711097----
LeucineLeucineME711399857C00123--
LeucylmethionineLeu-MetME711471----
LeucylprolineLeu-ProME7112853977067---
LeucyltyrosineLeu-TyrME711428----
leu-glnLeu-GlnME711238----
Leu-LeuLeu-LeuME711177----
leu-lysLeu-LysME711498----
Leu-proLeu-ProME711441----
Leu-ValLeu-ValME711084----
L-Glutamic acidGlutamic acidME71130633032C00025--
L-Glutamic acid, 5-[2-(4-carboxyphenyl)hydrazide]-ME711510----
l-HistidinalHistidinalME711452----
L-HistidineHistidineME7111506274C00135--
L-Homocysteic acidHomocysteic acidME711447----
L-Hydroxyproline-ME7112935810C01157--
L-KynurenineKynurenineME711083161166C00328--
L-(-)-methionineMethionineME7111056137C00073--
L-(-)-MethionineMethionineME7110466137C00073--
L-(+)-norleucineNorleucineME71141521236C01933--
L-NorleucineNorleucineME71103521236C01933--
L-PhenylalaninePhenylalanineME7110286140C00079--
L(-)-Pipecolinic acid-ME711164439227C00408--
L-ProlineProlineME711216145742C00148--
L-Pyroglutamic acidPyroglutamic acidME7111697405C01879--
L-pyrrolysine-ME711402----
LQ1825000-ME711330----
L-TheanineN(5)-Ethyl-glutamineME711353----
L-Threonic acid-1,4-lactone-ME7110682724794---
L-(-)-ThreonineThreonineME7110946288C00188--
L-TyrosineTyrosineME7110596057C00082--
L-Tyrosine methyl esterMethyl tyrosinateME71110970652C03404--
LU3453000-ME711086----
(-)-LupinineLupinineME711320----
Lycofawcine-ME711437----
lycopsamineLycopsamineME711347----
lys-leuLys-LeuME711438----
lys-tyrLys-TyrME711184----
Marimastat-ME711468----
m-carboxyaniline-ME711401----
MelamineMelamineME7113697955C08737--
mephenesin-ME711297----
meprobamateMeprobamateME7113614064---
MethamphetamineMethamphetamineME7114661206---
MethionylleucineMet-LeuME711333----
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2...-ME711196----
Methylbutylnitrosamine-ME71113523471---
MethylenediureaMethylenediureaME711357----
Methylimidazoleacetic acidMethylimidazoleacetic acidME71113675810C05828--
Methyl-L-histidinate-ME71109092893---
Methylone-ME71119945789647C20126--
MFCD00025555-ME711152----
MFCD01318772-ME711467----
MFCD02728197-ME711488----
MFCD10024834-ME711229122356C02714--
Minoxidil-ME7112794201---
MO4650000-ME7111387823C20334--
Monobutyl phthalateMonobutylphthalateME7114318575---
MW5604750-ME71148012581---
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)ace...-ME711358----
N1-Acetyl-5-methoxykynuramine-ME711294----
N-(2-Amino-4-methylpentanoyl)glutamine-ME711365----
N-[(2S,3R,4E)-1-{[4-O-(beta-D-Galactopyranosyl)-be...-ME711033----
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide-ME711424----
N-(3,4-Dihydroxyphenyl)glutamine-ME711193----
N-(3-Aminopropyl)-3-(3,4-dihydroxyphenyl)propanami...-ME711166----
N4-AcetylcytidineN4-AcetylcytidineME711354----
N-[(5E)-5-Heptenoyl]glycine-ME711286----
N~6~-(5-Oxo-D-isoleucyl)-L-lysine-ME711307----
N6-Acetyl-L-lysineN6-AcetyllysineME711469----
N6-Me-AdenosineN6-MethyladenosineME7111221869---
N6-METHYLLYSINEN(6)-MethyllysineME711487----
N8-AcetylspermidineN8-AcetylspermidineME711072123689C01029--
N-Acetyl-a-D-glucosamine-ME711241----
N-Acetyl-ala-ala-ala-methylester-ME711448----
N-Acetyl-D-quinovosamine-ME711450----
N-AcetylhistamineN-AcetylhistamineME71107769602C05135--
N-acetyl-L-2-aminoadipic acidN-Acetyl-2-aminoadipic acidME711104----
N-AcetylserotoninN-AcetylserotoninME711186903C00978--
n-Amylbenzene-ME711167----
N-Butyrylhomoserine-ME711386----
N-CaffeoylputrescineN-CaffeoylputrescineME711379----
nicotianamine(R,S,S)-NicotianamineME711476----
NicotinamideNiacinamideME711040936C00153--
Nicotinuric acidNicotinuric acidME71147768499C05380--
NL8513000-ME711398----
N-lauroylglycineNAGly 12:0ME711271----
N-Methylhistamine1-MethylhistamineME711050912---
N-Methyl-<scp>D</scp>-aspartic acid-ME71132922880C12269--
N,N'-Dicyclohexylurea-ME711267----
N,N-Diethylethanolamine-ME7110317497---
N,N-Dihydroxy-L-tryptophan-ME711425----
N,N-DimethylanilineN,N-DimethylanilineME711465949C02846--
N,N-DimethylglycineDimethylglycineME711159673C01026--
N-NitrosodiethylamineN-NitrosodiethylamineME7114445921C14422--
N-Nitrosodimethylamine (NDMA)-ME7111716124C14704--
N-NonanoylglycineN-NonanoylglycineME711292----
N-OLEOYL-4-AMINOBUTYRIC ACID-ME711233----
Norketamine-ME711250123767---
NP-001346-ME711326----
NP-002322-ME711367----
NP-002854-ME711334----
NP-004036-ME711139----
NP-011548-ME711382----
NP-016455-ME711499----
NP-017152-ME711375----
NP-018660-ME711043----
NP-019722-ME711454----
NP-020014-ME711200----
NP-020454-ME711287----
NP-022512-ME711128----
N-Phenyl-beta-D-glucopyranosylamine-ME711106----
n-propylbenzene-ME711325----
N-StearoyltyrosineN-Stearoyl tyrosineME711065----
N-(tert-Butoxycarbonyl)-L-leucine-ME711024----
N-UndecanoylglycineN-UndecanoylglycineME711055----
O-[{(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,1...-ME711218----
octadec-9-ynoic acid-ME711276----
OctadecanamineOctadecylamineME71108215793---
Octahydrocoumarin-ME711227----
Oleoyl ethanolamideOleoyl-EAME7113745283454---
ON1225000-ME7113315271566---
oxeladin-ME711422----
Palmitic AcidPalmitic acidME711419----
Palmitoyl Serinol-ME711455----
Palmitylethanolamide-ME7113914671---
PEG n10-ME71114379689---
PEG n11-ME71115481260---
PEG n12-ME71119481248---
PEG n13-ME71121787168---
PEG n14-ME711268656926---
PEG n15-ME711207120062---
PEG n16-ME71119281262---
PEG n6-ME71118517472---
PEG n7-ME71117979718---
pentabamate-ME711244----
pentahomomethioninePentahomomethionineME711397----
pentetrazol-ME7112565917C13692--
pentobarbitalPentobarbitalME7113834737---
Perillartine-ME7114495365782---
PhenacetinPhenacetinME7114834754C07591--
PhenethylaminePhenylethylamineME7112031001C05332--
PhenylacetylglycinePhenylacetylglycineME71110368144C05598--
phenylpropiolic acidPhenylpropiolic acidME711456----
p-Hydroxybenzalacetone-ME711254----
PhytosphingosinePhytosphingosineME711413122121C12144--
Pipecolic acidPipecolic acidME711095849---
PivagabinePivagabineME711148----
PregabalinPregabalinME7114065486971---
pretyrosineArogenic acidME711489----
pro-cysPro-CysME711226----
Prolinamide-ME711284550774---
ProlineProlineME711341145742C00148--
ProlylleucinePro-LeuME711111444109---
Pro-LysPro-LysME711446----
PropanoylagmatinePropanoylagmatineME711222----
pro-pro-proPro-Pro-ProME711277----
Propyl (9E)-12-hydroxy-9-octadecenoate-ME711236----
PsilocybinPsilocybinME71131810624---
PutrescinePutrescineME7112731045C02896--
PyridoxalPyridoxalME7110911050C00250--
PyridoxaminePyridoxamineME7111911052C00534--
QS4476500-ME711069----
QuinaldineQuinaldineME711432----
RilmenidineRilmenidineME71137368712C11120--
RimantadineRimantadineME7113095071C07236--
(R)-Salsolinol(R)-SalsolinolME71111254456---
(S)-(+)-2-Amino-1-propanol-ME71124080307---
S-3-oxodecanoyl cysteamine-ME711423----
salinosporamide B-ME711302----
salinosporamide D-ME711202----
S-Allyl-L-cysteineS-AllylcysteineME711071----
SalsolinolSalsolinolME71136054456---
senkyunolide B-ME711147----
SerotoninSerotoninME7112915202C00780--
Serratanidine-ME711336----
ST2975000-ME711474----
StachydrineStachydrineME711118----
Stearic acidStearic acidME7114175281---
StyreneStyreneME711180----
Supinine-ME711290----
TaurineTaurineME7110291123C00245--
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME711462387316---
TetraacetylethylenediamineTetraacetylethylenediamineME711486----
Tetrahydro-5-oxo-2-furanacetic acid-ME711252----
Tetramethylpyrazine-ME71131214296---
Tetramethylurea-ME711352----
ThiorphanThiorphanME711377----
thr-proThr-ProME711272----
THTA2-Tetrahydrothiopheneacetic acidME711145----
Tolycaine-ME71118772137---
trans-3-Indoleacrylic acid-ME711051----
TriethanolamineTriethanolamineME7110667618---
Triisopropanolamine-ME71113424730---
TrimethoprimTrimethoprimME7114735578C01965--
Trimethylamine N-oxideTrimethylamine N-oxideME711052----
Trimethylenetetraurea-ME711407----
Tris(2-butoxyethyl) phosphate-ME7110226540C14446--
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME711141----
TryptamineTryptamineME7113931150C00398--
TyrosylalanineTyr-AlaME7113954078684---
Ubiquinone 9-ME711067----
UNII:N506B45LBE-ME711348----
Ureidoisobutyric acidUreidoisobutyric acidME711231----
Urocanic acidUrocanic acidME711120736715C00785--
valganciclovirValganciclovirME71113364147---
ValineValineME711032----
Val-LeuVal-LeuME711080----
Val-MetVal-MetME711278----
Val-proVal-ProME711346----
Valpromide-ME71149271113---
Val-SerVal-SerME711443----
Valyl-4-hydroxyproline-ME711197----
ValylglutamineVal-GlnME711390----
ValylvalineVal-ValME711304----
XanthineXanthineME7112321188C00385--
ZalcitabineZalcitabineME71118824066C07207--


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-oxo-8-decenoic acid-ME711777----
10-oxocapric acid-ME711629----
(±)11(12)-EET11,12-EpETrEME711733----
11-Aminoundecanoic acid11-Aminoundecanoic acidME711746----
11(Z),14(Z)-Eicosadienoic acid11Z,14Z-Eicosadienoic acidME7116316439848---
13,14-Dihydro-15-keto Prostaglandin J2-ME711772----
1,5-Anhydro-D-fructose-ME711556----
1,5-anhydroglucitol1,5-AnhydrosorbitolME71153864960C07326--
16-Hydroxyhexadecanoic acidJuniperic acidME71168310466C18218--
1-Chlorobenzotriazole-ME71155188761---
1-deoxy-D-altro-heptulose 7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME711779----
1-guanidino-1-deoxy-scyllo-inositol1-Guanidino-1-deoxy-scyllo-inositolME711790----
1-Methyl-3,6-(1H,2H)-pyridazinedione-ME71175095157---
2,2-Bis(hydroxymethyl)propionic acid-ME71165478501---
2,3,4,5-Tetrahydroxypentanal-ME711597----
240I539PWQ-ME711560----
(2,4-Dihydroxyphenyl)(oxo)acetic acid-ME711783----
2,6-Dideoxy-3-O-methyl-L-arabino-hexopyranose-ME711634----
2-(Acetylamino)hexanoic acid-ME711626306142---
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME711798----
2-amino-3-oxoadipic acid-ME711778----
2-Aminoadipic acidalpha-Aminoadipic acidME711724469---
(2E)-3-[4-(Sulfooxy)phenyl]acrylic acid-ME711661----
2-Hydroxy-1,4-naphthoquinone-ME711694-C10368--
2-Hydroxy-4-oxopentanoic acid-ME711615----
2-Hydroxyhippuric acidSalicyluric acidME71164810253C07588--
2-methoxyacetaminophen sulfate2-Methoxyacetaminophen sulfateME711670----
2-Methyl-4-oxopentanedioic acid-ME711659----
2-Naphthalenesulfonic acid-ME7116178420C16202--
2-Quinolinecarboxylic acidQuinaldic acidME7117127124C06325--
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic aci...(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME711763----
3,3-Dimethylglutaric acid-ME71174920984---
3,4-Dimethylbenzoic acid3,4-Dimethylbenzoic acidME71170912073---
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...-ME711725----
3D-3,5/4-trihydroxycyclohexane-1,2-dione-ME711622----
3-Fluorobenzaldehyde-ME711802----
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME71167826612---
3-Hydroxyheptanoic acid-ME711676----
3-Hydroxynonanoic acid-ME711708----
3-Hydroxyvaleric acid3-Hydroxyvaleric acidME711565107802---
3-Isopropenylpentanedioic acid-ME711713----
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate3-Methoxy-4-hydroxyphenylethyleneglycol sulfateME7117894183---
3-Methylcrotonylglycine3-MethylcrotonylglycineME711717169485---
3-Methylhistidine3-MethylhistidineME711603565965---
3-(METHYLNITROSAMINO)PROPIONITRILE-ME711533----
3-methylthymine-ME711704----
3-Oxooctanoic acid-ME711692----
3-Thiomorpholinecarboxylic acidThiomorpholine-3-carboxylic acidME711639----
4-(1-Methyl-2-pyrrolidinyl)-3-oxobutanoic acid-ME711687----
4,5-dioxovaleric acid-ME711598----
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME71151719266---
4-ACETAMIDOBUTYRIC ACID4-Acetamidobutanoic acidME71164918189C02946--
4-Chlorophenol4-ChlorophenolME7117384684---
4-Dodecylbenzenesulfonic acid4-Dodecylbenzenesulfonic acidME7115308485---
4-Hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME711586----
4-Hydroxy-2-oxoheptanedioic acid4-Hydroxy-2-oxo-heptanedioic acidME711569----
4-Hydroxyindole4-HydroxyindoleME71166575421C02040--
4-Hydroxy-L-threonine4-HydroxythreonineME711605----
4-(Hydroxymethyl)benzenesulfonic acid-ME711604----
4-Oxo-2-propylpentanoic acid-ME711699----
4-Oxoproline4-Oxo-prolineME711734413589C01877--
4-phenolsulfonic acid-ME7115494765C12849--
4-styrenesulfonic acid-ME711732----
5-Aminovaleric acid5-Aminopentanoic acidME711519138C00431--
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid-ME711781----
5-Hydantoinpropionic acid-ME711638----
5-Hydroxyvalproic acid-ME711740----
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...-ME711696----
(5R)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-2-oxo-2...-ME711595----
(5R,6R)-2,6-Dihydroxy-5-(hydroxymethyl)-2-cyclohex...-ME711679----
6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-pt...-ME711548----
6-Acetamido-2-oxohexanoic acid2-Keto-6-acetamidocaproic acidME711624----
6-Deoxy-D-arabino-hexos-2-ulose-ME711731----
6-Hydroxycaproic acid6-Hydroxycaproic acidME71166214490C06103--
6-Oxohexanoic acid-ME711602----
7Z,10Z-Hexadecadienoic acid7Z,10Z-Hexadecadienoic acidME711680----
8-Hydroxyalanylclavam-ME711723----
8-Hydroxyoctanoic acid8-Hydroxyoctanoic acidME711643----
9-Oxononanoic acid9-Oxo-nonanoic acidME711748----
9(Z),11(E)-Conjugated linoleic acid-ME7117145280644C04056--
Ac-Ala-OHN-AcetylalanineME71170788064---
AceglutamideN-Acetylglutamic acidME711722182230---
Aceturic acidN-AcetylglycineME71161010972---
AcetylarginineN-AcetylarginineME711727102807---
Acetyl-L-methionineN-AcetylmethionineME711685448580C02712--
acetyltaurine-ME711762----
Acrylic acidAcrylic acidME7115626581C00511--
AC-THR-OH-ME711558----
a-Cyano-3-hydroxycinnamic acid-ME711628----
AdenineAdenineME711567190C00147--
Adipic acidAdipic acidME711703196C06104--
Adrenic acidAdrenic acidME7115805497181C16527--
afegostat-ME711787----
Agrocybin-ME711666----
Ala-ThrAla-ThrME711656----
Ala-TyrAla-TyrME711691----
.alpha.-Aminoadipic acidalpha-Aminoadipic acidME711747469---
Aminohippuric acidAminohippuric acidME7117372148---
Arachidonic acidArachidonic acidME711515444899C00219--
Azelaic acidAzelaic acidME7117442266C08261--
balenine-ME711642----
BenserazideBenserazideME7115992327---
Benzoic acidBenzoic acidME711574243C00180--
beta-D-Mannopyranose-ME711658----
ButabarbitalButabarbitalME7115432479---
CapryloylglycineCapryloylglycineME71160184290---
CAPSO-ME7117292733480---
CarbocysteineS-Carboxymethyl-cysteineME7116141080---
Cholesterol sulfateCholesterol sulfateME711587----
cis-5,8,11,14,17-Eicosapentaenoic acidEPAME711618----
CreatineCreatineME711561586C00300--
CYS-ASPCys-AspME711764----
CytosineCytosineME711785597C00380--
dacisteine-ME711759----
D-Alanyl-D-alanineD-Alanyl-D-AlanineME7117105460362C00993--
D-(+)-ArabitolArabitolME71167194154C01904--
Deferiprone-ME711730----
Deoxycholic acidDeoxycholic acidME711644222528---
D-(-)-ErythroseErythroseME711529----
D-Glucono-delta-lactone-ME7115737027C00198--
D-(-)-GlutamineD-GlutamineME711532145815C00819--
Dichloroacetic acidDichloroacetic acidME711706----
Dihomo-?-Linolenic AcidDihomo-gamma-linolenic acidME711611----
DL-a-Aminocaprylic acid-ME711675----
DL-ArginineArginineME711637232C02385--
DL-Glutamic acidGlutamic acidME711523----
DL-Lactic Acid-ME711518612C01432--
DL-LysineLysineME711594866C16440--
DL-Mevalonic acid-ME711801449---
DL-ß-LeucineLeucineME711524----
DL-TryptophanTryptophanME7115541148C00806--
DL-TYROSINETyrosineME711528----
Dodecanedioic acidDodecanedioic acidME71178412736C02678--
Dodecyl sulfateBlasticidin SME7115428778C08031--
D-PANTOTHENIC ACIDPantothenic acidME7115226613C00864--
D-Xylonic acidXylonic acidME711535----
D-Xylulosonic acid-ME711635----
DyphyllineDyphyllineME7117113182C07819--
(E)-Aconitic Acid-ME711735444212C02341--
erythroseErythroseME711521----
Ethanal tetramer-ME711653----
Ethylmalonic acidEthylmalonic acidME71166011756---
Ethyl sulfate-ME711544----
Ferulic acid 4-sulfateFerulic acid 4-sulfateME711681----
Fumaric acidFumaric acidME711663444972---
Ganciclovir-ME711682----
Gln-GlnGln-GlnME711788----
Glutaric acidGlutaric acidME711761743C00489--
glycerol 1,2-cyclic phosphate-ME711583----
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME711627----
GlycineGlycineME711719750C00037--
Glycolic acidGlycolic acidME711613757C00160--
Glycyl-L-leucineGly-LeuME71173692843C02155--
Gly-LeuGly-LeuME71179592843C02155--
Guanidineacetic acidGuanidoacetic acidME711612763C00581--
Guanidinoethyl SulfonateTaurocyamineME71159668340C01959--
GuanineGuanineME711751764C00242--
GuanosineGuanosineME7115396802C00387--
HEPES-ME711590----
Hexadecanedioic acidHexadecanedioic acidME71176910459C19615--
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentan...-ME711513----
HexitolSorbitolME711677----
HexoseHexoseME711514----
his-aspHis-AspME711607----
his-glnHis-GlnME711700----
HomoserineHomoserineME711568779---
Hydroxycaproic acidHydroxycaproic acidME71168499824---
ImidazolelactateImidazolelactic acidME711579----
Imidazolelactic acidImidazolelactic acidME711581459122---
Indole-2-carboxylic acid-ME71158572899---
Indole-3-acetic acidIndoleacetic acidME711553802C00954--
Indoxyl sulfateIndoxyl sulfateME71157710258---
Isobutyric acidIsobutyric acidME7117536590C02632--
IsoleucylasparagineIle-AsnME711796----
Isophthalic acid-ME7115478496---
Isovalerylglutamic acid-ME711693----
ISOXYL-ME71156341648C18432--
L-(-)-AsparagineAsparagineME7115786267C00152--
L-(+)-Aspartic acidAspartic acidME7115505960C00049--
L-CarnosineCarnosineME711698----
Leu-LeuLeu-LeuME711641----
Levulinic acidLevulinic acidME71160011579---
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME711756----
L-Homocysteic acidHomocysteic acidME711630----
L-IditolL-IditolME7115555460044C01507--
Linoleic AcidLinoleic acidME711526----
?-Linolenic AcidOctadecatrienoic acidME711609----
L-(-)-methionineMethionineME7115406137C00073--
L-PhenylalaninePhenylalanineME7115276140C00079--
L-(+)-Tartaric acidTartaric acidME711536444305---
L-(-)-ThreonineThreonineME7116216288C00188--
lys-leuLys-LeuME711776----
lys-tyrLys-TyrME711686----
Mesaconic acidMesaconic acidME711566638129C01732--
Mesalamine-ME7117924075---
Meso-erythritolErythritolME7116528998---
Methyl bisulfate-ME711570----
Methylmalonic acidMethylmalonic acidME711541487C02170--
Methylsuccinic acidMethylsuccinic acidME71161910349---
met-ileMet-IleME711800----
MFCD00025555-ME711715----
MFCD00041500-ME71177320393C03343--
MFCD00133175-ME711667----
MFCD01074888-ME711794----
Monobutyl phthalateMonobutylphthalateME7115578575---
Myristyl sulfate-ME7115755248---
N1-Acetyl-5-methoxykynuramine-ME711745----
N-(2-Amino-3-methylpentanoyl)glutamine-ME711721----
N-(2-Cyanoethyl)-L-glutaminegamma-Glutamyl-beta-aminopropiononitrileME711571----
N-[(2S)-2-Hydroxypropanoyl]glycine-ME711616----
N-[(2S)-2-Hydroxypropanoyl]methionine-ME711655----
N-(3-carboxypropanoyl)-N-hydroxyputrescine-ME711799----
N-[(3E)-3-Heptenoyl]glycine-ME711780----
N^5^-formyl-N^5^-hydroxy-L-ornithine-ME711726----
N-acetyl-9-O-acetylneuraminic acid-ME711592----
N-AcetylalanineN-AcetylalanineME71159188064---
N-Acetyl-beta-alanyl-D-histidine-ME711766----
N-Acetyldemethylphosphinothricin tripeptide-ME711608----
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME71178670914C00624--
N-acetyl-LL-2,6-diaminopimelic acid-ME711741----
N-Acetylnorvaline-ME711739306106---
N-AcetylornithineN-AcetylornithineME711765907---
Ne-AcetyllysineN6-AcetyllysineME71165792832C02727--
N-EthylglycineN-EthylglycineME711760316542C11735--
N-FormylaspartateN-Formyl-aspartic acidME711758----
NicotinamideNiacinamideME711664936C00153--
N-methyl-2-oxoglutaramic acid-ME711752----
N-Methyl-<scp>D</scp>-aspartic acid-ME71154522880C12269--
N-NonanoylglycineN-NonanoylglycineME711728----
Nonanoic acidPelargonic acidME7115828158C01601--
NP-002089-ME711742----
NP-018661-ME711669----
NP-021797-ME711688----
N-(Phenylacetyl)aspartic acid-ME711754----
NS1800000-ME7116976723C00847--
N-Sulfanyl-L-asparagine-ME711552----
N-Tridecanoylglycine-ME711767----
N-UndecanoylglycineN-UndecanoylglycineME711559----
Oleic acidOleic acidME711690965C00712--
Oleic AcidOleic acidME711531----
O-propenoyl-D-carnitine-ME711623----
Orotic acidOrotic acidME711702967C00295--
OtonecineOtonecineME711755----
Ovothiol A-ME711593----
Palmitoleic acidPalmitoleic acidME711572445638C08362--
Pentadecanoic acidPentadecylic acidME71151613849---
P-Gal-ME711774----
phe-ilePhe-IleME711672----
PhenylacetylglycinePhenylacetylglycineME71156468144C05598--
PHENYLBUTYRIC ACIDPhenylbutyric acidME7116324775---
PivagabinePivagabineME711640----
PregabalinPregabalinME7115885486971---
pro-cysPro-CysME711645----
PropylparabenPropylparabenME7117977175---
pyroglutaminePyroglutamineME711674----
Pyruvic acidPyruvic acidME7115461060C00022--
Salicylic acidSalicylic acidME711689338C00805--
ser-proSer-ProME711743----
Ser-SerSer-SerME711793----
S-Methyl-L-Cysteine-S-oxideS-Methylcysteine S-oxideME711673182092---
ß-D-Glucopyranuronic acidGlucuronic acidME711705----
ß-Muricholic acidbeta-Muricholic acidME711651----
stilben-4-ol-ME711576----
Succinic acidSuccinic acidME7115891110C00042--
Succinic semialdehydeSuccinic acid semialdehydeME7116461112C00232--
SucroseSucroseME7116255988C00089--
sulfoacetaldehydeSulfoacetaldehydeME711606----
Sulfosalicylic AcidSulfosalicylic acidME7116207322---
TaurineTaurineME7115121123C00245--
Taurochenodeoxycholic Acid (sodium salt)Taurochenodeoxycholic acidME711757----
TauropineTauropineME711718----
Thiourocanic acidThiourocanic acidME711668----
THREONIC ACID, L--ME711525----
ThreonylleucineThr-LeuME711633----
thr-proThr-ProME711647----
Timonacic-ME711534----
tranexamic acidTranexamic acidME711716----
Trifluoroacetic acid-ME711511----
Tyr-PheTyr-PheME711791----
UracilUracilME7115201174C00106--
Uric acidUric acidME7115371175C00366--
Urocanic acidUrocanic acidME711770736715C00785--
Valeric acidValeric acidME7116507991C00803--
Val-LeuVal-LeuME711636----
Val-MetVal-MetME711768----
val-pheVal-PheME711782----
ValylglutamineVal-GlnME711771----
ValylvalineVal-ValME711720----
Vitamin CVitamin CME711695----
XanthosineXanthosineME71170164959C01762--
Xylenesulfonate-ME71158414756---
ZalcitabineZalcitabineME71177524066C07207--


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