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Analysis: 1H NMR 500 MHz

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,6-Anhydro-B-D-glucose-ME701687----
1-Methylnicotinamide1-Methyl nicotinamideME701688457C02918--
2-Aminobutyrate2-Aminobutyric acidME7016896657---
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME70169011671---
2-OxoglutarateOxoglutaric acidME70169151C00026--
3-Aminoisobutyrate3-Aminoisobutanoic acidME70169264956C05145--
3-Hydroxybutyrate3-Hydroxybutyric acidME701693441C01089--
3-Hydroxyisovalerate3-Hydroxyisovaleric acidME70169469362---
3-IndoxylsulfateIndoxyl sulfateME70169510258---
4-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME701696127C00642--
AcetateAcetic acidME701697176C00033--
AcetoacetateAcetoacetic acidME70169896C00164--
AcetoneAcetoneME701699180C00207--
AlanineAlanineME7017005950C00041--
AscorbateVitamin CME70170154670067C00072--
BetaineBetaineME701702247C00719--
CarnitineCarnitineME701703288---
CholineCholineME701704305C00114--
cis-Aconitatecis-Aconitic acidME701742643757C00417--
CitrateCitric acidME701705311C00158--
CreatineCreatineME701706586C00300--
CreatinineCreatinineME701707588C00791--
DimethylamineDimethylamineME701708674C00543--
EthanolamineEthanolamineME701709700C00189--
EthylmalonateMonoethyl malonic acidME70171070615---
FormateFormic acidME701711284C00058--
FucoseFucoseME70171219466C01019--
GlucoseGlucoseME7017135793C00031--
GlycerolGlycerolME701714753C00116--
GlycineGlycineME701715750C00037--
HippurateHippuric acidME701716464C01586--
HistidineHistidineME7017176274C00135--
HypoxanthineHypoxanthineME701718790C00262--
IsoleucineIsoleucineME7017196306C00407--
LactateLactic acidME701720107689C00186--
LeucineLeucineME7017216106C00123--
LysineLysineME7017225962C00047--
MannitolMannitolME7017236251C00392--
MethanolMethanolME701724887C00132--
myo-InositolMyo-inositolME701743892C00137--
N-Isovaleroylglycine-ME701726----
N,N-DimethylglycineDimethylglycineME701725673C01026--
O-AcetylcarnitineCAR 2:0ME7017271C02571--
PantothenatePantothenic acidME701728988C00864--
p-Methylhistidine1-MethylhistidineME701744----
PyroglutamatePyroglutamic acidME7017297405C01879--
SerineSerineME7017305951C00065--
SuccinateSuccinic acidME7017311110C00042--
TartrateTartaric acidME701732444305C00898--
TaurineTaurineME7017331123C00245--
ThreonineThreonineME7017346288C00188--
t-Methylhistidine3-MethylhistidineME701745----
TrigonellineTrigonellineME7017355570C01004--
Trimethylamine N-oxideTrimethylamine N-oxideME7017361145C01104--
TryptophanTryptophanME7017376305C00078--
TyrosineTyrosineME7017386057C00082--
UracilUracilME7017391174C00106--
UreaUreaME7017401176C00086--
ValineValineME7017416287C00183--


Analysis: 1H NMR 600 MHz

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,6-Anhydro-B-D-glucose-ME701746----
1-Methylnicotinamide1-Methyl nicotinamideME701747457C02918--
2-Aminobutyrate2-Aminobutyric acidME7017486657---
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME70174911671---
2-OxoglutarateOxoglutaric acidME70175051C00026--
3-Aminoisobutyrate3-Aminoisobutanoic acidME70175164956C05145--
3-Hydroxybutyrate3-Hydroxybutyric acidME701752441C01089--
3-Hydroxyisovalerate3-Hydroxyisovaleric acidME70175369362---
3-IndoxylsulfateIndoxyl sulfateME70175410258---
4-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME701755127C00642--
AcetateAcetic acidME701756176C00033--
AcetoacetateAcetoacetic acidME70175796C00164--
AcetoneAcetoneME701758180C00207--
AlanineAlanineME7017595950C00041--
AscorbateVitamin CME70176054670067C00072--
BetaineBetaineME701761247C00719--
CarnitineCarnitineME701762288---
CholineCholineME701763305C00114--
cis-Aconitatecis-Aconitic acidME701801643757C00417--
CitrateCitric acidME701764311C00158--
CreatineCreatineME701765586C00300--
CreatinineCreatinineME701766588C00791--
DimethylamineDimethylamineME701767674C00543--
EthanolamineEthanolamineME701768700C00189--
EthylmalonateMonoethyl malonic acidME70176970615---
FormateFormic acidME701770284C00058--
FucoseFucoseME70177119466C01019--
GlucoseGlucoseME7017725793C00031--
GlycerolGlycerolME701773753C00116--
GlycineGlycineME701774750C00037--
HippurateHippuric acidME701775464C01586--
HistidineHistidineME7017766274C00135--
HypoxanthineHypoxanthineME701777790C00262--
IsoleucineIsoleucineME7017786306C00407--
LactateLactic acidME701779107689C00186--
LeucineLeucineME7017806106C00123--
LysineLysineME7017815962C00047--
MannitolMannitolME7017826251C00392--
MethanolMethanolME701783887C00132--
myo-InositolMyo-inositolME701802892C00137--
N-Isovaleroylglycine-ME701785----
N,N-DimethylglycineDimethylglycineME701784673C01026--
O-AcetylcarnitineCAR 2:0ME7017861C02571--
PantothenatePantothenic acidME701787988C00864--
p-Methylhistidine1-MethylhistidineME701803----
PyroglutamatePyroglutamic acidME7017887405C01879--
SerineSerineME7017895951C00065--
SuccinateSuccinic acidME7017901110C00042--
TartrateTartaric acidME701791444305C00898--
TaurineTaurineME7017921123C00245--
ThreonineThreonineME7017936288C00188--
t-Methylhistidine3-MethylhistidineME701804----
TrigonellineTrigonellineME7017945570C01004--
Trimethylamine N-oxideTrimethylamine N-oxideME7017951145C01104--
TryptophanTryptophanME7017966305C00078--
TyrosineTyrosineME7017976057C00082--
UracilUracilME7017981174C00106--
UreaUreaME7017991176C00086--
ValineValineME7018006287C00183--


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