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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-Hydroxybutyric acid2-Hydroxybutyric acidME255285----
2-Hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME255283----
3-Hydroxybutyric acid3-Hydroxybutyric acidME255304----
3-Hydroxyisobutyrate3-Hydroxyisobutyric acidME255320----
3-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME255288----
Acetic acidAcetic acidME255280----
AcetoacetateAcetoacetic acidME255328----
AcetoneAcetoneME255297----
AspartateAspartic acidME255317----
BetaineBetaineME255322----
CarnitineCarnitineME255329----
CholineCholineME255323----
Citric acidCitric acidME255321----
CreatineCreatineME255303----
CreatinineCreatinineME255305----
D-GlucoseGlucoseME255294----
DimethylamineDimethylamineME255309----
Dimethyl sulfoneDimethyl sulfoneME255319----
EthanolEthanolME255310----
FormateFormic acidME255286----
FructoseFructoseME255284----
GlycerolGlycerolME255300----
GlycineGlycineME255292----
HypoxanthineHypoxanthineME255287----
Isobutyric acidIsobutyric acidME255290----
IsoleucineIsoleucineME255295----
Isopropyl alcoholIsopropanolME255311----
L-AlanineAlanineME255296----
L-ArginineArginineME255318----
L-Glutamic acidGlutamic acidME255299----
L-GlutamineGlutamineME255325----
L-HistidineHistidineME255315----
L-Lactic acidLactic acidME255298----
L-LeucineLeucineME255291----
L-LysineLysineME255301----
L-OrnithineOrnithineME255324----
L-PhenylalaninePhenylalanineME255306----
L-ProlineProlineME255289----
L-ThreonineThreonineME255307----
MalonateMalonic acidME255308----
MethanolMethanolME255316----
MethionineMethionineME255313----
Myo-inositolMyo-inositolME255314----
Propylene glycolPropylene glycolME255282----
Pyroglutamic acidPyroglutamic acidME255327----
Pyruvic acidPyruvic acidME255326----
SuccinateSuccinic acidME255279----
TyrosineTyrosineME255302----
UreaUreaME255312----
ValineValineME255293----
XanthineXanthineME255281----


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