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


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