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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Methylhistamine1-MethylhistamineME718652----
3-NitrotyrosineNitrotyrosineME718667----
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME718666----
4-Pyridoxic acid4-Pyridoxic acidME718640----
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME718696----
5-Hydroxymethyl-2'-deoxyuridine-ME718699----
5-Methyltetrahydrofolic5-Methyl-THFME718686----
5-Thymidylic aciddTMPME718672----
6-Gluconolactone-ME718654----
8-Hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME718700----
8-Hydroxyguanosine8-HydroxyguanosineME718701----
Acetoacetic acidAcetoacetic acidME718659----
Aconitic acidcis-Aconitic acidME718663----
Alpha-Linolenic acidalpha-Linolenic acidME718644----
Aminoadipic acidAminoadipic acidME718651----
Azelaic acidAzelaic acidME718635----
CadaverineCadaverineME718641----
cGAMP-ME718702----
cGMP3',5' cyclic GMPME718674----
Cytidine monophosphateCMPME718673----
Cytidine triphosphateCTPME718687----
dCMPdCMPME718670----
DeoxyuridineDeoxyuridineME718638----
D-GlucosamineGlucosamineME718693----
Dihydrofolic acidDihydrofolic acidME718685----
DL-AcetylcarnitineCAR 2:0ME718695----
DL-HomocysteineHomocysteineME718691----
DopamineDopamineME718648----
Folic acidFolic acidME718678----
Gamma-Aminobutyric acidgamma-Aminobutyric acidME718661----
Gibberellin A3Gibberellin A3ME718675----
GlyceraldehydeGlyceraldehydeME718658----
GlycerolGlycerolME718688----
Glycocholic acidGlycocholic acidME718679----
Heptadecanoic acidMargaric acidME718669----
HistamineHistamineME718689----
IndoleIndoleME718647----
Indoleacetic acidIndoleacetic acidME718643----
Isobutyric acidIsobutyric acidME718646----
Isovaleric acidIsovaleric acidME718660----
L-Ascorbic acid(Vit. C)Vitamin CME718664----
L-CysteineCysteineME718690----
L-CysteinylglycineCys-GlyME718692----
L-CystineCystineME718698----
L-GalactoseL-GalactoseME718665----
Linoleic acidLinoleic acidME718642----
L-ProlineProlineME718645----
MelatoninMelatoninME718697----
Methylmalonic acidMethylmalonic acidME718656----
Myristic acidMyristic acidME718668----
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME718655----
N6-MethyladenosineN6-MethyladenosineME718636----
N-Acetylneuraminic acidN-Acetylneuraminic acidME718671----
NADNADME718681----
NADPNADPME718683----
NADPHNADPHME718682----
NormetanephrineNormetanephrineME718637----
Orotidylic acid(OMP)Orotidylic acidME718677----
oxaloacetateOxaloacetic acidME718639----
Phenylpyruvic acidPA Quinolinic acid-ME718649----
Propionic acidPropionic acidME718657----
Prostaglandin E2PGE2ME718676----
PutrescinePutrescineME718653----
Quinolinic acidQuinolinic acidME718662----
Salicyluric acidSalicyluric acidME718694----
SpermidineSpermidineME718650----
Taurocholic acidTaurocholic acidME718680----
Tetrahydrofolic acidTHFME718684----


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12S-HETE12S-HETEME718759----
13C2-SuccinateSuccinic acidME718844----
13C5-Glutamic acid-15NGlutamic acidME718792----
13S-hydroxyoctadecadienoic acid13S-HODEME718780----
1-Methyladenosine1-MethyladenosineME718801----
2-Hydroxyglutarate2-Hydroxyglutaric acidME718758----
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME718826----
3-Hydroxy-3-methylbutyric acid3-Hydroxyisovaleric acidME718727----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME718839----
3-methyi-2-oxo-butanoic acidKetoisovaleric acidME718760----
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME718733----
3-Methylhistidine3-MethylhistidineME718741----
4-Hydroxyprolinecis-4-HydroxyprolineME718723----
4-methyl-2-oxovalerateKetoleucineME718828----
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME718818----
5-Aminolevulinic acid5-Amino-levulinic acidME718837----
5-Aminopentanoic acid5-Aminopentanoic acidME718817----
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME718787----
6-Phospho-D-gluconate6-Phosphogluconic acidME718719----
AcetylglycineN-AcetylglycineME718737----
AdenineAdenineME718714----
AdenosineAdenosineME718710----
Adenosine 5'-diphosphateADPME718749----
Adenosine monophosphateAMPME718757----
Adipic acidAdipic acidME718840----
ADP-ribose 2'-phosphateADP-ribose 2'-phosphateME718709----
AgmatineAgmatineME718843----
AllantoinAllantoinME718782----
Alpha-D-GlucoseGlucoseME718703----
Alpha-D-Glucose 1,6-bisphosphateGlucose 1,6-bisphosphateME718798----
ArginosuccinateArgininosuccinic acidME718819----
ATPATPME718772----
Benzoic acidBenzoic acidME718832----
BetaineBetaineME718790----
CholineCholineME718778----
Citraconic acidCitraconic acidME718816----
Citric acidCitric acidME718744----
CreatineCreatineME718774----
CreatinineCreatinineME718738----
CysteamineCysteamineME718834----
CytidineCytidineME718713----
CytosineCytosineME718841----
D4-Glutaric acidGlutaric acidME718835----
D-(Alpha)LactoseLactoseME718830----
D-BiotinBiotinME718833----
D-Fructose 6-phosphateFructose 6-phosphateME718783----
D-Glucose 6-phosphateGlucose 6-phosphateME718707----
D-Glucuronic acidGlucuronic acidME718752----
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME718706----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME718814----
DimethylglycineDimethylglycineME718717----
D-Leucic acidD-Leucic acidME718734----
DL-KynurenineKynurenineME718730----
DL-Malic acidMalic acidME718803----
D-SucroseSucroseME718812----
Fumaric acidFumaric acidME718720----
GABAgamma-Aminobutyric acidME718754----
Gluconic acidGluconic acidME718807----
Glucose 1-phosphateGlucose 1-phosphateME718704----
Glutaric acidGlutaric acidME718822----
GlutathioneGlutathioneME718721----
Glycerate-2P2-Phosphoglyceric acidME718847----
Glycerate-3P3-Phosphoglyceric acidME718802----
Glycerol 3-phosphatesn-Glycero-3-phosphateME718705----
GlycineGlycineME718762----
GMPGMPME718708----
GTPGTPME718747----
Guanidoacetic acidGuanidoacetic acidME718831----
GuanosineGuanosineME718823----
Guanosine diphosphateGDPME718718----
Homogentisic acidHomogentisic acidME718770----
Homovanillic acidHomovanillic acidME718797----
HypoxanthineHypoxanthineME718813----
Indolelactic acidIndolelactic acidME718756----
Indoxyl sulfateIndoxyl sulfateME718750----
InosineInosineME718793----
Inosinic acidIMPME718842----
Isocitric acidIsocitric acidME718766----
Kynurenic acidKynurenic acidME718794----
L-AlanineAlanineME718785----
L-ArginineArginineME718771----
L-AsparagineAsparagineME718775----
L-Aspartic acidAspartic acidME718829----
L-CarnitineCarnitineME718767----
L-CitrullineCitrullineME718745----
L-CystathionineCystathionineME718739----
L-Glutamic acidGlutamic acidME718791----
L-GlutamineGlutamineME718712----
L-HistidineHistidineME718804----
L-HomoserineHomoserineME718784----
L-IsoleucineIsoleucineME718716----
L-Lactic acidLactic acidME718805----
L-LeucineLeucineME718726----
L-LysineLysineME718776----
L-MethionineMethionineME718846----
L-OrnithineOrnithineME718751----
L-PhenylalaninePhenylalanineME718808----
L-SerineSerineME718715----
L-SorbitolSorbitolME718761----
L-ThreonineThreonineME718769----
L-TryptophanTryptophanME718825----
L-TyrosineTyrosineME718743----
L-ValineValineME718722----
Maleic acidMaleic acidME718820----
Malonic acidMalonic acidME718827----
Methylsuccinic acidMethylsuccinic acidME718786----
Mevalonic acidMevalonic acidME718729----
myo-InositolMyo-inositolME718736----
N-AcetylputrescineN-AcetylputrescineME718799----
NADHNADHME718725----
NiacinamideNiacinamideME718748----
Nicotinic acidNicotinic acidME718838----
Orotic acidOrotic acidME718755----
Oxalic acidOxalic acidME718836----
Oxidized glutathioneOxidized glutathioneME718740----
Oxoglutaric acid2-Oxoglutaric acidME718711----
Pantothenic acidPantothenic acidME718768----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME718821----
Pipecolic acidPipecolic acidME718753----
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME718789----
Pyroglutamic acidPyroglutamic acidME718731----
Pyruvic acidPyruvic acidME718742----
R-3-Hydroxybutyric acid3R-Hydroxybutyric acidME718845----
Ribose-5PRibose 5-phosphateME718806----
Ribulose-5PRibulose 5-phosphateME718763----
S-AdenosylhomocysteineS-AdenosylhomocysteineME718796----
SarcosineSarcosineME718795----
SerotoninSerotoninME718800----
Shikimic acidShikimic acidME718811----
SpermineSpermineME718810----
Succinic acidSuccinic acidME718724----
TaurineTaurineME718777----
Trimethylamine-N-oxide (TMAO)Trimethylamine N-oxideME718815----
TryptamineTryptamineME718764----
TyramineTyramineME718824----
UracilUracilME718788----
Uric acidUric acidME718779----
UridineUridineME718809----
Uridine 5'-diphosphateUDPME718728----
Uridine 5'-monophosphateUMPME718732----
UTPUTPME718746----
XanthineXanthineME718773----
XanthosineXanthosineME718735----
Xanthurenic acidXanthurenic acidME718765----
Xylulose-5PXylulose 5-phosphateME718781----


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