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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
13C-Alanine-1AlanineME616713----
13C-Arginine-1-ME616719----
13C-Aspartate-1Aspartic acidME616718----
13C-Cystine-1-ME616720----
13C-Glutamic acid-1Glutamic acidME616721----
13C-Glycine-1GlycineME616717----
13C-Histidine-1HistidineME616722----
13C-Iso Leucine-1IsoleucineME616723----
13C lysineLysineME616731----
13C-Lysine-1-ME616724----
13C-Methionine-1MethionineME616725----
13 C phenylalaninePhenylalanineME616730----
13C-Phenylalanine-1PhenylalanineME616726----
13C-Proline1ProlineME616712----
13C-Serine-1SerineME616714----
13C-Threonine-1-ME616715----
13C tyrosineTyrosineME616729----
13C-TyrosineTyrosineME616727----
13C valine-1ValineME616728----
13C-Valine-1ValineME616716----
1-Methyladenosine1-MethyladenosineME616668----
1-Methylhistidine1-MethylhistidineME616635----
1-Methylnicotinamide1-Methyl nicotinamideME616620----
3,5-Diiodothyronine3,5-DiiodothyronineME616694----
5-Methoxytryptophan5-MethoxytryptophanME616655----
5-Methyltetrahydrofolic acid5-Methyl-THFME616693----
5'-Methylthioadenosine5'-MethylthioadenosineME616671----
5-Thymidylic aciddTMPME616675----
7-Methylguanosine7-MethylguanosineME616672----
Acetoacetyl-CoAAcetoacetyl-CoAME616705----
Acetyl-CoAAcetyl-CoAME616703----
AdenineAdenineME616617----
AdenosineAdenosineME616667----
Adenosine monophosphateAMPME616683----
AICARAICARME616680----
AICA-ribosideAICARME616661----
Argininosuccinic acidArgininosuccinic acidME616670----
Asymmetric dimethylarginineDimethylarginineME616648----
BetaineBetaineME616600----
Betaine aldehydeBetaine aldehydeME616591----
BiotinBiotinME616658----
CarnitineCarnitineME616630----
CholineCholineME616592----
CitrullineCitrullineME616638----
Coenzyme ACoenzyme AME616701----
CreatineCreatineME616606----
CreatinineCreatinineME616597----
CytidineCytidineME616657----
Cytidine monophosphateCMPME616676----
CytosineCytosineME616596----
dCMPdCMPME616673----
DeoxyadenosineDeoxyadenosineME616659----
Deoxyadenosine monophosphatedAMPME616678----
DeoxyguanosineDeoxyguanosineME616666----
Dephospho-CoA3'-Dephospho-CoAME616698----
dGMPdGMPME616682----
Dihydrofolic acidDihydrofolic acidME616692----
DimethylglycineDimethylglycineME616594----
DL-2-Aminooctanoic acid2-Aminocaprylic acidME616629----
DL-O-PhosphoserineDL-O-PhosphoserineME616643----
EthanolamineEthanolamineME616587----
FADFADME616702----
FlavoneFlavoneME616653----
Folic acidFolic acidME616691----
Gamma-Aminobutyric acidgamma-Aminobutyric acidME616593----
GlucosamineGlucosamineME616640----
Glucosamine-1PGlucosamine 1-phosphateME616663----
Glucosamine 6-phosphateGlucosamine 6-phosphateME616662----
GlutathioneGlutathioneME616674----
Glycerophosphocholinesn-Glycero-3-phosphocholineME616660----
GlycineGlycineME616589----
GMPGMPME616686----
GuanineGuanineME616627----
GuanosineGuanosineME616669----
HomocysteineHomocysteineME616619----
HydroxyprolineHydroxyprolineME616612----
ImidazoleImidazoleME616588----
Imidazoleacetic acidImidazoleacetic acidME616608----
IMPIMPME616684----
IndoleIndoleME616599----
L-AcetylcarnitineCAR 2:0ME616649----
L-AlanineAlanineME616590----
L-ArginineArginineME616637----
L-AsparagineAsparagineME616615----
L-Aspartic acidAspartic acidME616616----
L-CystathionineCystathionineME616654----
L-CysteineCysteineME616605----
L-CystineCystineME616656----
L-Glutamic acidGlutamic acidME616625----
L-GlutamineGlutamineME616623----
L-HistidineHistidineME616628----
L-HistidinolL-HistidinolME616621----
L-HomoserineHomoserineME616603----
L-KynurenineKynurenineME616651----
L-LeucineLeucineME616613----
L-LysineLysineME616622----
L-MethionineMethionineME616626----
L-PhenylalaninePhenylalanineME616632----
L-ProlineProlineME616598----
L-ThreonineThreonineME616602----
L-TryptophanTryptophanME616650----
L-TyrosineTyrosineME616641----
L-ValineValineME616601----
Malonyl-CoAMalonyl-CoAME616706----
Methionine sulfoxideMethionine sulfoxideME616631----
MethylcysteineMethylcysteineME616618----
N6-Acetyl-L-lysineN6-AcetyllysineME616644----
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME616652----
N-Acetylglutamic acidN-Acetylglutamic acidME616647----
N-AcetylglutamineN-AcetylglutamineME616646----
N-AcetylornithineN-AcetylornithineME616636----
N-AcetylputrescineN-AcetylputrescineME616611----
NADNAD+ME616696----
NADHNADHME616697----
NADPNADP+ME616699----
NADPHNADPHME616700----
N-Alpha-acetyllysineN(2)-AcetyllysineME616645----
NiacinamideNiacinamideME616607----
Nicotinamide ribotideNicotinamide ribotideME616679----
O-AcetylserineO-AcetylserineME616624----
OrnithineOrnithineME616614----
Oxidized glutathioneOxidized glutathioneME616695----
PhosphorylcholineCholine phosphateME616642----
Pipecolic acidPipecolic acidME616610----
Propionyl-CoAPropionyl-CoAME616704----
PurinePurineME616604----
PutrescinePutrescineME616708----
PyridoxaminePyridoxamineME616633----
PyridoxinePyridoxineME616634----
RiboflavinRiboflavinME616688----
S-AdenosylhomocysteineS-AdenosylhomocysteineME616689----
S-AdenosylmethioninamineS-AdenosylmethioninamineME616685----
S-AdenosylmethionineS-AdenosylmethionineME616690----
SarcosineSarcosineME616711----
SerineSerineME616595----
SpermidineSpermidineME616709----
SpermineSpermineME616710----
S-Ribosyl-L-homocysteineS-RibosylhomocysteineME616665----
Succinyl-CoASuccinyl-CoAME616707----
ThiamineThiamineME616664----
Thiamine monophosphateThiamine monophosphateME616681----
ThymineThymineME616609----
UreaUreaME616586----
Ureidosuccinic acidN-Carbamoylaspartic acidME616639----
Uridine 5'-monophosphateUMPME616677----
Xanthylic acidXMPME616687----


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
13C-MethionineMethionineME616894----
13C-SerineSerineME616893----
13C-taurineTaurineME616895----
13C-XanthineXanthineME616896----
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME616821----
2,4-Dihydroxybenzoic acid-ME616767----
2-deoxyglucose-6-phosphate2-Deoxy-D-glucose 6-phosphateME616891----
2-Isopropylmalic acid2-Isopropylmalic acidME616786----
2-Ketohexanoic acid2-Ketocaproic acidME616750----
2-Keto-L-gluconate2-Keto-L-gulonic acidME616800----
2-Oxo-4-methylthiobutanoic acid2-Oxo-4-methylthiobutanoic acidME616762----
3-Hydroxy-3-methylglutaryl-CoA3-Hydroxy-3-methylglutaryl-CoAME616890----
3-Hydroxybutyryl-CoA-ME616888----
3-Methylphenylacetic acid3-Methylphenylacetic acidME616764----
3-Methylthiopropionic acid3-Methyl-thiopropionic acidME616745----
3-Phosphoglyceric acid3-Phosphoglyceric acidME616794----
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME616769----
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME616757----
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME616791----
4-Pyridoxic acid4-Pyridoxic acidME616793----
5-Thymidylic aciddTMPME616832----
6-Phosphogluconic acid6-Phosphogluconic acidME616824----
6-Phosphonoglucono-D-lactone6-Phosphonoglucono-D-lactoneME616815----
acetoacetateAcetoacetic acidME616736----
Acetoacetyl-CoAAcetoacetyl-CoAME616886----
acetyl-CoAAcetyl-CoAME616883----
AcetylphosphateAcetylphosphateME616758----
Adenosine phosphosulfateAdenosine phosphosulfateME616851----
Adenosine triphosphateATPME616867----
ADPADPME616852----
ADP-glucoseADP-glucoseME616872----
Allantoic acidAllantoic acidME616784----
AllantoinAllantoinME616770----
Alpha-ketoisovaleric acidKetoisovaleric acidME616741----
Aminoadipic acidAminoadipic acidME616771----
Ascorbic acidVitamin CME616785----
Butyryl-CoAButyryl-CoAME616885----
Carbamoyl phosphateCarbamoylphosphateME616759----
CDPCDPME616846----
CDP-EthanolamineCDP-EthanolamineME616856----
CellobioseCellobioseME616837----
Cholesterol sulfateCholesterol sulfateME616858----
Cholic acidCholic acidME616848----
cis-Aconitic acidcis-Aconitic acidME616783----
CiticolineCDP-cholineME616864----
Citraconic acidCitraconic acidME616749----
Citramalic acidCitramalic acidME616763----
Citric acidCitric acidME616799----
Coenzyme ACoenzyme AME616882----
Cyclic AMP3',5' cyclic AMPME616833----
Cyclic-Di-GMP-ME616879----
Cytidine triphosphateCTPME616862----
D-2-HydroxyglutarateD-2-Hydroxyglutaric acidME616892----
dCDPdCDPME616841----
dCTPdCTPME616859----
Deoxyadenosine triphosphatedATPME616865----
Deoxycholic acidDeoxycholic acidME616843----
DeoxyinosineDeoxyinosineME616813----
Deoxyribose 1-phosphateDeoxyribose 1-phosphateME616806----
DeoxyuridineDeoxyuridineME616809----
Deoxyuridine triphosphatedUTPME616860----
Dephospho-CoA3'-Dephospho-CoAME616878----
D-Erythrose 4-phosphateErythrose 4-phosphateME616802----
dGDPdGDPME616853----
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME616780----
dGTPdGTPME616868----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME616779----
dTDPdTDPME616845----
dUMPdUMPME616829----
Farnesyl-PP-ME616839----
Flavin MononucleotideFMNME616857----
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME616834----
Fructose 6-phosphateFructose 6-phosphateME616819----
Fumaric acidFumaric acidME616739----
Geranyl-PPGeranyl diphosphateME616830----
Glucaric acidGlucaric acidME616805----
Gluconic acidGluconic acidME616801----
GluconolactoneGluconolactoneME616789----
Glucose 1-phosphateGlucose 1-phosphateME616817----
Glucose 6-phosphateGlucose 6-phosphateME616818----
GlutathioneGlutathioneME616828----
Glyceric acidGlyceric acidME616737----
Glyceric acid 1,3-biphosphateGlyceric acidME616820----
Glycerol 3-phosphatesn-Glycero-3-phosphateME616781----
GlycolateGlycolic acidME616733----
Glyoxylic acidGlyoxylic acidME616732----
Guanidoacetic acidGuanidoacetic acidME616742----
Guanosine 3',5'-bis(diphosphate)-ME616873----
Guanosine diphosphateGDPME616855----
Guanosine triphosphateGTPME616869----
hexose-phosphateHexose 6-phosphateME616816----
Hydroxyisocaproic acidHydroxyisocaproic acidME616753----
HypoxanthineHypoxanthineME616755----
IDPIDPME616854----
Indole-3-carboxylic acidIndole-3-carboxylic acidME616772----
Indoleacrylic acidIndoleacrylic acidME616795----
InosineInosineME616823----
Isocitric acidIsocitric acidME616798----
Kynurenic acidKynurenic acidME616796----
L-Homocysteic acidHomocysteic acidME616792----
L-Lactic acidLactic acidME616735----
L-Malic acidMalic acidME616754----
Maleic acidMaleic acidME616740----
Malonyl-CoAMalonyl-CoAME616887----
Methylmalonic acidMethylmalonic acidME616744----
myo-InositolMyo-inositolME616790----
NA-ME616797----
N-Acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME616827----
N-Acetyl-L-alanineN-AcetylalanineME616751----
NADNAD+ME616876----
NADHNADHME616877----
NADPNADP+ME616880----
NADPHNADPHME616881----
Nicotinic acidNicotinic acidME616746----
octulose-1_8-bisphosphate-ME616844----
Octulose?8-PhosphateOctulose 8-phosphateME616831----
Orotic acidOrotic acidME616768----
Orotidylic acidOrotidylic acidME616838----
Ortho-Hydroxyphenylacetic acid-ME616766----
Oxalacetic acidOxaloacetic acidME616752----
Oxidized glutathioneOxidized glutathioneME616875----
Oxoglutaric acid2-Oxoglutaric acidME616760----
p-Aminobenzoic acidp-Aminobenzoic acidME616756----
Pantothenic acidPantothenic acidME616807----
Phenyllactic acidPhenyllactic acidME616775----
Phenylpropiolic acidPhenylpropiolic acidME616761----
Phenylpyruvic acidPhenylpyruvic acidME616773----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME616777----
Phosphoribosyl pyrophosphatePhosphoribosyl pyrophosphateME616842----
PrephenatePrephenic acidME616808----
Propionyl-CoAPropionyl-CoAME616884----
Pyroglutamic acidPyroglutamic acidME616748----
PyrophosphatePyrophosphateME616788----
Pyruvic acidPyruvic acidME616734----
Quinolinic acidQuinolinic acidME616776----
Ribose 1-phosphateRibose 1-phosphateME616810----
(R)-lipoic acidLipoic acidME616804----
S-AdenosylhomocysteineS-AdenosylhomocysteineME616840----
Sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME616826----
Shikimate 3-phosphate3-Phosphoshikimic acidME616814----
Shikimic acidShikimic acidME616782----
S-Ribosyl-L-homocysteineS-RibosylhomocysteineME616822----
Succinic acidSuccinic acidME616743----
succinyl-CoASuccinyl-CoAME616889----
SucroseSucroseME616835----
TaurineTaurineME616747----
Taurodeoxycholic acidTaurodeoxycholic acidME616866----
Thiamine pyrophosphateThiamine diphosphateME616850----
ThymidineThymidineME616811----
Thymidine 5'-triphosphatedTTPME616861----
TrehaloseTrehaloseME616836----
Trehalose 6-phosphateTrehalose 6-phosphateME616849----
UracilUracilME616738----
Ureidosuccinic acidN-Carbamoylaspartic acidME616787----
Uric acidUric acidME616778----
UridineUridineME616812----
Uridine 5'-diphosphateUDPME616847----
Uridine diphosphate glucoseUDP-glucoseME616870----
Uridine diphosphate glucuronic acidUDP-glucuronic acidME616871----
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME616874----
Uridine triphosphateUTPME616863----
Vanillylmandelic acidVanillylmandelic acidME616774----
XanthineXanthineME616765----
XanthosineXanthosineME616825----
Xanthurenic acidXanthurenic acidME616803----


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