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Analysis: NMR 1D-1H

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
PyruvatePyruvic acidME6961841060C00022--
2-oxoglutarate2-Oxoglutaric acidME69609351C00026--
GlucoseGlucoseME6961395793C00031--
AcetateAcetic acidME696105176C00033--
GlycineGlycineME696144750C00037--
AlanineAlanineME6961105950C00041--
SuccinateSuccinic acidME6961861110C00042--
GTPGTPME6961356830C00044--
LysineLysineME6961585962C00047--
AspartateAspartic acidME6961175960C00049--
FormateFormic acidME696133284C00058--
ArginineArginineME6961156322C00062--
GlutamineGlutamineME6961415961C00064--
SerineSerineME6961855951C00065--
AscorbateVitamin CME69611654670067C00072--
MethionineMethionineME6961636137C00073--
TyrosineTyrosineME6961976057C00082--
CysteineCysteineME696127594C00097--
CholineCholineME696121305C00114--
LeucineLeucineME6961576106C00123--
GalactoseGalactoseME6961386036C00124--
MethanolMethanolME696162887C00132--
myo-inositolMyo-inositolME696167892C00137--
AdenineAdenineME696108190C00147--
ProlineProlineME696180145742C00148--
MalateMalic acidME696159222656C00149--
CitrateCitric acidME696123311C00158--
GlycolateGlycolic acidME696145757C00160--
PropionatePropionic acidME6961811032C00163--
AcetoacetateAcetoacetic acidME69610696C00164--
XyloseXyloseME696203135191C00181--
ValineValineME6962006287C00183--
1,3-dihydroxyacetoneDihydroxyacetoneME696083670C00184--
LactateLactic acidME696156107689C00186--
ThreonineThreonineME6961916288C00188--
EthanolamineEthanolamineME696130700C00189--
AcetoneAcetoneME696107180C00207--
AdenosineAdenosineME69610960961C00212--
ProtocatechuateProtocatechuic acidME69618272C00230--
TaurineTaurineME6961891123C00245--
ButyrateButyric acidME69612020975673C00246--
GlycerateGlyceric acidME696143439194C00258--
HypoxanthineHypoxanthineME696149790C00262--
HomoserineHomoserineME69614812647C00263--
InosineInosineME6961506021C00294--
UridineUridineME6961986029C00299--
CreatineCreatineME696124586C00300--
IsocitrateIsocitric acidME6961531198C00311--
PyridoxinePyridoxineME6961831054C00314--
O-phosphoethanolaminePhosphoethanolamineME6961771015C00346--
MalonateMalonic acidME696161867C00383--
IsoleucineIsoleucineME6961546306C00407--
cis-Aconitatecis-Aconitic acidME696122643757C00417--
5-aminolevulinate5-Amino-levulinic acidME696102137C00430--
N-acetylornithineN-AcetylornithineME696173439232C00437--
EthanolEthanolME696129702C00469--
TyramineTyramineME6961965610C00483--
GlutarateGlutaric acidME696142743C00489--
GuanidoacetateGuanidoacetic acidME696146763C00581--
N-acetylglutamateN-Acetylglutamic acidME69617070914C00624--
BetaineBetaineME696118247C00719--
CreatinineCreatinineME696126588C00791--
ValerateValeric acidME6961997991C00803--
GlucarateGlucaric acidME69613633037C00818--
4-pyridoxate4-Pyridoxic acidME6961016723C00847--
TartrateTartaric acidME696188444305C00898--
O-phosphoserineDL-O-PhosphoserineME69617868841C01005--
FucoseFucoseME69613419466C01019--
6-hydroxynicotinate6-Hydroxynicotinic acidME69610372924C01020--
Trimethylamine N-oxideTrimethylamine N-oxideME6961951145C01104--
AnserineAnserineME696113112072C01262--
Ethylene glycolEthylene glycolME696131174C01380--
MaleateMaleic acidME696160444266C01384--
AllantoinAllantoinME696111204C01551--
XanthosineXanthosineME69620264959C01762--
ArabinitolArabitolME696114827C01904--
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME69609011914C01983--
O-acetylcholineAcetylcholineME696175187C01996--
MethylmalonateMethylmalonic acidME696166487C02170--
MethylguanidineMethylguanidineME69616510111C02294--
Creatine phosphatePhosphocreatineME696125587C02305--
trans-aconitatetrans-Aconitic acidME696194444212C02341--
O-acetylcarnitineCAR 2:0ME6961741C02571--
IsobutyrateIsobutyric acidME6961516590C02632--
ButanoneButanoneME6961196569C02845--
N,N-dimethylformamideN,N-DimethylformamideME6961686228C03134--
3,5-dibromotyrosine3,5-DibromotyrosineME69609567532C03224--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME69609847C03465--
trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME69619311137200C04397--
HomocysteineHomocysteineME696147778C05330--
2-hydroxybutyrate2-Hydroxybutyric acidME69608811266C05984--
AcetamideAcetamideME696104178C06244--
N-acetylcysteineN-AcetylcysteineME69616912035C06809--
OxypurinolOxypurinolME6961794644C07599--
IsovalerateIsovaleric acidME69615510430C08262--
Dimethyl sulfoneDimethyl sulfoneME6961286213C11142--
3-methylxanthine3-MethylxanthineME69610070639C16357--
1,3-dimethylurate1,3-Dimethyluric acidME69608470346---
2-aminobutyrate2-Aminobutyric acidME6960856657---
2-ethylacrylate-ME696086----
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME69608710796774---
2-hydroxyisocaproate2-Hydroxyisocaproic acidME69608992779---
2-Octenoate2-Octenoic acidME696091----
2-oxocaproate2-Ketocaproic acidME696092----
2-phosphoglycerate2-Phosphoglyceric acidME69609459---
3-chlorotyrosine3-ChlorotyrosineME696096119226---
3-hydroxyisovalerate3-Hydroxyisovaleric acidME69609769362---
3-methyladipate3-Methyladipic acidME6960996999745---
AlloisoleucineAlloisoleucineME69611299288---
EthylmalonateEthylmalonic acidME69613270615---
GalactarateGalactaric acidME696137----
GlutamateGlutamic acidME696140----
IsocaproateIsocaproic acidME69615212587---
MethylamineMethylamineME696164----
N-acetylglutamineN-AcetylglutamineME69617125561---
N-acetylglycineN-AcetylglycineME69617210972---
O-phosphocholineCholine phosphateME696176135437---
SuccinylacetoneSuccinylacetoneME6961875312---
Threophylline-ME696192----
Treonate-ME696190----
ValproateValproic acidME696201----


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