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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
2,3-Butanediol2,3-ButanediolME800495262C00265--
Acetic acidAcetic acidME800496176C00033--
AcetoinAcetoinME800497179C00466--
AdenosineAdenosineME80049860961C00212--
AlanineAlanineME800499-C01401--
ArginineArginineME8005006322C00062--
AsparagineAsparagineME8005016267C00152--
Aspartic acidAspartic acidME8005025960C00049--
BetaineBetaineME800503248C00719--
CholineCholineME800504305C00114--
cis-Aconitic acidcis-Aconitic acidME800540643757C00417--
Citric acidCitric acidME800505311C00158--
EthanolEthanolME800506702C00469--
Formic acidFormic acidME800507284C00058--
FructoseFructoseME800508439709C00095--
Fumaric acidFumaric acidME800509444972C00122--
GlucoseGlucoseME80051064689C00031--
Glutamic acidGlutamic acidME80051133032C00302--
GlycineGlycineME800512750C00037--
IsoleucineIsoleucineME8005136306C00407--
Isovaleric acidIsovaleric acidME80051410430C08262--
Lactic acidLactic acidME800515107689C00186--
LeucineLeucineME8005166106C00123--
LysineLysineME8005175962C00047--
MannoseMannoseME800518185698C00159--
MethanolMethanolME800519887C00132--
MethionineMethionineME8005206137C00073--
NiacinamideNiacinamideME800521936C00153--
Nicotinic acidNicotinic acidME800522938C00253--
OrnithineOrnithineME8005236262C00077--
PhenylalaninePhenylalanineME8005246140C00079--
Pyroglutamic acidPyroglutamic acidME8005257405C01879--
Pyruvic acidPyruvic acidME8005261060C00022--
RaffinoseRaffinoseME800527439242C00492--
SerineSerineME8005285951C00065--
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME800541657272C00670--
StachyoseStachyoseME800529439531C01613--
Succinic acidSuccinic acidME8005301738118C00042--
SucroseSucroseME8005315988C00089--
Thiamine diphosphateThiamine diphosphateME8005321132C00068--
ThreonineThreonineME8005336288C00188--
TrehaloseTrehaloseME8005347427C01083--
TryptophanTryptophanME8005356305C00078--
TyrosineTyrosineME8005366057C00082--
UracilUracilME8005371174C00106--
UridineUridineME8005386029C00299--
ValineValineME8005396287C00183--


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