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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
1,7-dimethylxanthineParaxanthineME3566334687C13747--
2-methylmaleateCitraconic acidME356620643798C02226--
3-hydroxyisovalerate3-Hydroxyisovaleric acidME356647254741293C20827--
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME35664112122C05593--
3-methylhistidine3-MethylhistidineME35662264969C01152--
4-aminobutyrategamma-Aminobutyric acidME356625119C00334--
5-aminolevulinic acid5-Amino-levulinic acidME356619137C00430--
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME3566341826C05635--
AcetateAcetic acidME356605176C00033--
acetolHydroxyacetoneME3566122244C01405--
AcetylsalicylateAspirinME3566002244C01405--
AnserineAnserineME356648112072C01262--
AscorbateVitamin CME3566183372C00072--
BiotinBiotinME356617171548C00120--
CaffeineCaffeineME3566132519C07481--
CreatineCreatineME356637586C00300--
DimethylamineDimethylamineME356601674C00543--
DimethylglycineDimethylglycineME356643673C01026--
Ethylene glycolEthylene glycolME356623174C01380--
Ferulatetrans-Ferulic acidME356608445858C01494--
FructoseFructoseME3566275984C10906--
FucoseFucoseME35662817106---
GalactarateGalactaric acidME3566493037582C00879--
GalactitolGalactitolME35661011850C01697--
GlucarateGlucaric acidME35661433037C00818--
GlycerateGlyceric acidME356639439194C00258--
glycerate 2-phosphate2-Phosphoglyceric acidME35660959---
glyceroneDihydroxyacetoneME356607670C00184--
GlycineGlycineME356621750C00037--
GlycolateGlycolic acidME3566443460C00160--
GuanidoacetateGuanidoacetic acidME356635763C00581--
HistamineHistamineME356629774C00388--
IsobutyrateIsobutyric acidME3566166590C02632--
LactoseLactoseME356636440995---
MalonateMalonic acidME3566153673C00383--
MaltoseMaltoseME356604439186---
MethylguanidineMethylguanidineME35662610111C02294--
N-Acetylaspartic acidN-Acetylaspartic acidME35659865065C01042--
N-AcetylglucosamineN-Acetyl-D-glucosamineME356650439174C00140--
PhosphocholineCholine phosphateME3566421014C00588--
PyridoxinePyridoxineME3565991054C00314--
PyruvatePyruvic acidME3566021060C00022--
SarcosineSarcosineME3566321088C00213--
sorbitolSorbitolME3566305780C00794--
SucroseSucroseME3566455988C00089--
SyringateSyringic acidME35663810742C10833--
ThymineThymineME3566241135C00178--
TrimethylamineTrimethylamineME3566461146C00565--
UridineUridineME3566406029C00299--
ValineValineME3566066287C00183--
xanthineXanthineME3566311188C00385--
XanthurenateXanthurenic acidME3566035699C02470--
xylitolXylitolME3566116912C00379--


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