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


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