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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-Hydroxy-butyrate2-Hydroxybutyric acidME30117211266C05984--
2-Hydroxy isovalerate2-Hydroxy-3-methylbutyric acidME301171----
2-methyl glutarate2-Methylglutaric acidME301177----
3-Hydroxy-butyrate3-Hydroxybutyric acidME3011803541112---
3-Hydroxy isovalerate3-Hydroxyisovaleric acidME301181----
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME30117853436912---
4-Hydroxybenzoate4-Hydroxybenzoic acidME301206135C00156--
AcetateAcetic acidME301185175C00033--
AlanineAlanineME301183602C01401--
ArginineArginineME301184232C02385--
AscorbateVitamin CME301200235C00072--
BetaineBetaineME301196247C00719--
CarnitineCarnitineME30119585C00487--
CholineCholineME301194305C00114--
CitrateCitric acidME301190311C00158--
CreatineCreatineME301192586C00300--
CreatinineCreatinineME301198588C00791--
Dimethyl sulfoneDimethyl sulfoneME3011936213C11142--
DSSDapsoneME3011702955---
FormateFormic acidME301207283C00058--
GlucoseGlucoseME301201206C00031 C00293--
GlutamineGlutamineME301189738C00303--
GlycerolGlycerolME301197753C00116--
HistidineHistidineME301203773C00768--
IsobutyrateIsobutyric acidME3011766590C02632--
IsoleucineIsoleucineME301174791C16434--
LactateLactic acidME301182612C01432--
LeucineLeucineME301173857C16439--
LysineLysineME301191866C16440--
myo-InositolMyo-inositolME301199892C00137--
PhenylalaninePhenylalanineME301204994C02057--
Propylene glycolPropylene glycolME3011791030C00583--
PyruvatePyruvic acidME3011871060C00022--
SuccinateSuccinic acidME3011881110C00042--
TryptophanTryptophanME3012051148C00078 C00806--
TyrosineTyrosineME3012021153C00082 C01536--
Unknown-ME301186----
ValineValineME3011751182C16436--


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