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Analysis: NMR data

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
N,N-DimethylglycineDimethylglycineME426185-673--
PyruvatePyruvic acidME4261911060C00022--
GlutamateGlutamic acidME42617233032C00025--
2-Oxoglutarate2-Oxoglutaric acidME42614951C00026--
AcetateAcetic acidME426153176C00033--
GlycineGlycineME426175750C00037--
AlanineAlanineME4261565950C00041--
SuccinateSuccinic acidME4261931110C00042--
LysineLysineME4261815962C00047--
FormateFormic acidME426169284C00058--
ArginineArginineME4261576322C00062--
GlutamineGlutamineME4261735961C00064--
MethionineMethionineME4261846137C00073--
OrnithineOrnithineME4261876262C00077--
TryptophanTryptophanME4261956305C00078--
PhenylalaninePhenylalanineME4261886140C00079--
TyrosineTyrosineME4261966057C00082--
UreaUreaME4261972447C00086--
CholineCholineME426161305C00114--
GlycerolGlycerolME426174753C00116--
FumarateFumaric acidME426170444972C00122--
LeucineLeucineME4261806106C00123--
MethanolMethanolME426183887C00132--
HistidineHistidineME4261766274C00135--
myo-InositolMyo-inositolME426199-C00137--
ProlineProlineME426189145742C00148--
AsparagineAsparagineME4261586267C00152--
CitrateCitric acidME426162311C00158--
PropionatePropionic acidME4261901032C00163--
AcetoacetateAcetoacetic acidME42615496C00164--
ValineValineME4261986287C00183--
LactateLactic acidME42617961503C00186--
CholesterolCholesterolME4261405997C00187--
ThreonineThreonineME4261946288C00188--
AcetoneAcetoneME426155180C00207--
GlucoseGlucoseME4261715793C00221--
2-OxoisocaproateKetoleucineME42615070C00233--
ButyrateButyric acidME426160264C00246--
CreatineCreatineME426163586C00300--
IsoleucineIsoleucineME4261776306C00407--
EthanolEthanolME426168702C00469--
D-(+)-malic acidD-Malic acidME42616592824C00497--
DimethylamineDimethylamineME426167674C00543--
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME42620071920C00670--
SerineSerineME4261925951C00716--
BetaineBetaineME426159247C00719--
CreatinineCreatinineME426164588C00791--
MannoseMannoseME42618218950C00936--
3-Hydroxybutyrate3-Hydroxybutyric acidME426151441C01089--
3-Methylhistidine3-MethylhistidineME42620164969C01152--
IsopropanolIsopropanolME4261783776C01845--
2-Aminobutyrate2-Aminobutyric acidME42614580283C02356--
O-AcetylcarnitineCAR 2:0ME4261867045767C02571--
2-Hydroxybutyrate2-Hydroxybutyric acidME42614611266C05984--
3-Hydroxyisobutyrate3-Hydroxyisobutyric acidME42615287C06001--
Dimethyl sulfoneDimethyl sulfoneME4261666213C11142--
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME42614711671---
2-Hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME42614899823---
Cholesterylester-ME426141----
Lysophosphatidylcholine-ME426142----
Phosphatidylcholine-ME426143----
Triacylglyceride-ME426144----


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