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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 acidME30121011266C05984--
2-Hydroxy isovalerate2-Hydroxy-3-methylbutyric acidME301209----
2-methyl glutarate2-Methylglutaric acidME301215----
3-Hydroxy-butyrate3-Hydroxybutyric acidME3012183541112---
3-Hydroxy isovalerate3-Hydroxyisovaleric acidME301219----
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME30121653436912---
4-Hydroxybenzoate4-Hydroxybenzoic acidME301244135C00156--
AcetateAcetic acidME301223175C00033--
AlanineAlanineME301221602C01401--
ArginineArginineME301222232C02385--
AscorbateVitamin CME301238235C00072--
BetaineBetaineME301234247C00719--
CarnitineCarnitineME30123385C00487--
CholineCholineME301232305C00114--
CitrateCitric acidME301228311C00158--
CreatineCreatineME301230586C00300--
CreatinineCreatinineME301236588C00791--
Dimethyl sulfoneDimethyl sulfoneME3012316213C11142--
DSSDapsoneME3012082955---
FormateFormic acidME301245283C00058--
GlucoseGlucoseME301239206C00031 C00293--
GlutamineGlutamineME301227738C00303--
GlycerolGlycerolME301235753C00116--
HistidineHistidineME301241773C00768--
IsobutyrateIsobutyric acidME3012146590C02632--
IsoleucineIsoleucineME301212791C16434--
LactateLactic acidME301220612C01432--
LeucineLeucineME301211857C16439--
LysineLysineME301229866C16440--
myo-InositolMyo-inositolME301237892C00137--
PhenylalaninePhenylalanineME301242994C02057--
Propylene glycolPropylene glycolME3012171030C00583--
PyruvatePyruvic acidME3012251060C00022--
SuccinateSuccinic acidME3012261110C00042--
TryptophanTryptophanME3012431148C00078 C00806--
TyrosineTyrosineME3012401153C00082 C01536--
Unknown-ME301224----
ValineValineME3012131182C16436--


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