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Analysis: ESI Positive/Negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Alpha-Ketoglutaric Acid2-Oxoglutaric acidME10296051C00026--
AcetoacetateAcetoacetic acidME10295296C00164--
AcetylcholineAcetylcholineME102953187C01996--
Adipic AcidAdipic acidME102957196C06104--
AllantoinAllantoinME102959204C01551--
Anthranilate2-Aminobenzoic acidME102963227C00108--
BetaineBetaineME102967247C00719--
CarnitineCarnitineME102969288---
CholineCholineME102970305C00114--
SorbitolSorbitolME103045453C00794--
2-Aminoadipatealpha-Aminoadipic acidME102947469C00956--
CreatineCreatineME102973586C00300--
CreatinineCreatinineME102974588C00791--
CystineCystineME102977595C01420--
CytosineCytosineME102979597C00380--
DimethylglycineDimethylglycineME102981673C01026--
Glutaric AcidGlutaric acidME102995743C00489--
GlycineGlycineME102999750C00037--
GlyceraldehydeGlyceraldehydeME102996751C02154--
GuanidinoacetateGuanidoacetic acidME103002763C00581--
HomogentisateHomogentisic acidME103005780C00544--
HypoxanthineHypoxanthineME103008790C00262--
NiacinamideNiacinamideME103027936C00153--
OrotateOrotic acidME103030967C00295--
OxaloacetateOxaloacetic acidME103032970C00036--
Oxalic AcidOxalic acidME103031971C00209--
PEPPhosphoenolpyruvic acidME1030341005C00074--
PropionatePropionic acidME1030371032C00163--
PyruvatePyruvic acidME1030401060C00022--
TaurineTaurineME1030471123C00245--
Trimethylamine-N-oxideTrimethylamine N-oxideME1030491145C01104--
UrateUric acidME1030521175C00366--
XanthineXanthineME1030551188C00385--
CystamineCystamineME1029752915---
1-Methylhistamine1-MethylhistamineME1029463614C05127--
XanthurenateXanthurenic acidME1030575699C02470--
GlucoseGlucoseME1029925793C00031--
EpinephrineEpinephrineME1029845816C00788--
AlanineAlanineME1029585950C00041--
SerineSerineME1030435951C00065--
Aspartic AcidAspartic acidME1029665960C00049--
GlutamineGlutamineME1029945961C00064--
LysineLysineME1030185962C00047--
FructoseFructoseME1029875984C00095--
InosineInosineME1030116021C00294--
UridineUridineME1030536029C00299--
TyrosineTyrosineME1030516057C00082--
AMPAMPME1029626083C00020--
AminoisobutyrateAminoisobutyric acidME1029616119C03665--
MethionineMethionineME1030236137C00073--
PhenylalaninePhenylalanineME1030356140C00079--
CytidineCytidineME1029786175C00475--
OrnithineOrnithineME1030296262C00077--
AsparagineAsparagineME1029656267C00152--
HistidineHistidineME1030046274C00135--
ValineValineME1030546287C00183--
ThreonineThreonineME1030486288C00188--
TryptophanTryptophanME1030506305C00078--
ArginineArginineME1029646322C00062--
4-Pyridoxic acid4-Pyridoxic acidME1029506723C00847--
GuanosineGuanosineME1030036802C00387--
Pyroglutamic AcidPyroglutamic acidME1030397405C01879--
IMPIMPME1030108582C00130--
Shikimic AcidShikimic acidME1030448742C00493--
DTMPdTMPME1029839700C00364--
CitrullineCitrullineME1029729750C00327--
GlycocholateGlycocholic acidME10300110140C01921--
SalicylurateSalicyluric acidME10304210253C07588--
MethylSuccinateMethylsuccinic acidME10302410349---
Margaric AcidMargaric acidME10302210465---
N-AcetylGlycineN-AcetylglycineME10302610972---
GlycochenodeoxycholateGlycochenodeoxycholic acidME10300012544C05466--
2'-DeoxyuridineDeoxyuridineME10294813712C00526--
1-Methyladenosine1-MethyladenosineME10294527476C02494--
Glutamic acidGlutamic acidME10299333032---
AdenosineAdenosineME10295560961C00212--
XanthosineXanthosineME10305664959C01762--
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME10302592919---
ErythroseErythroseME10298594176C02143--
lactateLactic acidME103013107689C00186--
ProlineProlineME103036145742C00148--
L-KynurenineKynurenineME103017161166C00328--
BiotinBiotinME102968171548C00120--
MalateMalic acidME103019222656C00149--
3-Nitro-tyrosineNitrotyrosineME102949235719---
GlycerateGlyceric acidME102997439194C00258--
CystathionineCystathionineME102976439258C02291--
5-Hydroxytryptophan5-Hydroxy-tryptophanME102951439280C00643--
D-Leucic AcidD-Leucic acidME102982439960C03264--
Aconitatetrans-Aconitic acidME102954444212C02341--
Maleic AcidMaleic acidME103020444266C01384--
Citraconic AcidCitraconic acidME102971643798C02226--
Linoleic AcidLinoleic acidME1030155280450C01595--
Linolenic AcidOctadecatrienoic acidME1030165280934C06427--
AdenylosuccinateAdenylsuccinic acidME102956----
D-GA3P/DHAP-ME102980----
F16BP/F26BP-ME102986----
FumaricFumaric acidME102988----
G16BP-ME102989----
gama-Aminobutyrate-ME102990----
GlucoronateGlucuronic acidME102991----
Glycerol-3-Psn-Glycero-3-phosphateME102998-C00093--
HomovanilateHomovanillic acidME103006----
Hydroxyproline/Aminolevulinate-ME103007----
Hyppuric Acid-ME103009----
Kynorenate-ME103012----
Leucine/iso-LeucineLeucine/IsoleucineME103014----
Malonic Acid/3HBA-ME103021----
OH-Phenylpyruvate4-Hydroxyphenylpyruvic acidME103028----
PentothenatePantothenic acidME103033----
Pyridoxal-5-PPyridoxal 5'-phosphateME103038----
Reduced glutatione-ME103041----
Succinate/Methylmalonate-ME103046----


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