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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-1AlanineME616402----
13C-Arginine-1-ME616408----
13C-Aspartate-1Aspartic acidME616407----
13C-Cystine-1-ME616409----
13C-Glutamic acid-1Glutamic acidME616410----
13C-Glycine-1GlycineME616406----
13C-Histidine-1HistidineME616411----
13C-Iso Leucine-1IsoleucineME616412----
13C lysineLysineME616420----
13C-Lysine-1-ME616413----
13C-Methionine-1MethionineME616414----
13 C phenylalaninePhenylalanineME616419----
13C-Phenylalanine-1PhenylalanineME616415----
13C-Proline1ProlineME616401----
13C-Serine-1SerineME616403----
13C-Threonine-1-ME616404----
13C tyrosineTyrosineME616418----
13C-TyrosineTyrosineME616416----
13C valine-1ValineME616417----
13C-Valine-1ValineME616405----
1-Methyladenosine1-MethyladenosineME616357----
1-Methylhistidine1-MethylhistidineME616324----
1-Methylnicotinamide1-Methyl nicotinamideME616309----
3,5-Diiodothyronine3,5-DiiodothyronineME616383----
5-Methoxytryptophan5-MethoxytryptophanME616344----
5-Methyltetrahydrofolic acid5-Methyl-THFME616382----
5'-Methylthioadenosine5'-MethylthioadenosineME616360----
5-Thymidylic aciddTMPME616364----
7-Methylguanosine7-MethylguanosineME616361----
Acetoacetyl-CoAAcetoacetyl-CoAME616394----
Acetyl-CoAAcetyl-CoAME616392----
AdenineAdenineME616306----
AdenosineAdenosineME616356----
Adenosine monophosphateAMPME616372----
AICARAICARME616369----
AICA-ribosideAICARME616350----
Argininosuccinic acidArgininosuccinic acidME616359----
Asymmetric dimethylarginineDimethylarginineME616337----
BetaineBetaineME616289----
Betaine aldehydeBetaine aldehydeME616280----
BiotinBiotinME616347----
CarnitineCarnitineME616319----
CholineCholineME616281----
CitrullineCitrullineME616327----
Coenzyme ACoenzyme AME616390----
CreatineCreatineME616295----
CreatinineCreatinineME616286----
CytidineCytidineME616346----
Cytidine monophosphateCMPME616365----
CytosineCytosineME616285----
dCMPdCMPME616362----
DeoxyadenosineDeoxyadenosineME616348----
Deoxyadenosine monophosphatedAMPME616367----
DeoxyguanosineDeoxyguanosineME616355----
Dephospho-CoA3'-Dephospho-CoAME616387----
dGMPdGMPME616371----
Dihydrofolic acidDihydrofolic acidME616381----
DimethylglycineDimethylglycineME616283----
DL-2-Aminooctanoic acid2-Aminocaprylic acidME616318----
DL-O-PhosphoserineDL-O-PhosphoserineME616332----
EthanolamineEthanolamineME616276----
FADFADME616391----
FlavoneFlavoneME616342----
Folic acidFolic acidME616380----
Gamma-Aminobutyric acidgamma-Aminobutyric acidME616282----
GlucosamineGlucosamineME616329----
Glucosamine-1PGlucosamine 1-phosphateME616352----
Glucosamine 6-phosphateGlucosamine 6-phosphateME616351----
GlutathioneGlutathioneME616363----
Glycerophosphocholinesn-Glycero-3-phosphocholineME616349----
GlycineGlycineME616278----
GMPGMPME616375----
GuanineGuanineME616316----
GuanosineGuanosineME616358----
HomocysteineHomocysteineME616308----
HydroxyprolineHydroxyprolineME616301----
ImidazoleImidazoleME616277----
Imidazoleacetic acidImidazoleacetic acidME616297----
IMPIMPME616373----
IndoleIndoleME616288----
L-AcetylcarnitineCAR 2:0ME616338----
L-AlanineAlanineME616279----
L-ArginineArginineME616326----
L-AsparagineAsparagineME616304----
L-Aspartic acidAspartic acidME616305----
L-CystathionineCystathionineME616343----
L-CysteineCysteineME616294----
L-CystineCystineME616345----
L-Glutamic acidGlutamic acidME616314----
L-GlutamineGlutamineME616312----
L-HistidineHistidineME616317----
L-HistidinolL-HistidinolME616310----
L-HomoserineHomoserineME616292----
L-KynurenineKynurenineME616340----
L-LeucineLeucineME616302----
L-LysineLysineME616311----
L-MethionineMethionineME616315----
L-PhenylalaninePhenylalanineME616321----
L-ProlineProlineME616287----
L-ThreonineThreonineME616291----
L-TryptophanTryptophanME616339----
L-TyrosineTyrosineME616330----
L-ValineValineME616290----
Malonyl-CoAMalonyl-CoAME616395----
Methionine sulfoxideMethionine sulfoxideME616320----
MethylcysteineMethylcysteineME616307----
N6-Acetyl-L-lysineN6-AcetyllysineME616333----
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME616341----
N-Acetylglutamic acidN-Acetylglutamic acidME616336----
N-AcetylglutamineN-AcetylglutamineME616335----
N-AcetylornithineN-AcetylornithineME616325----
N-AcetylputrescineN-AcetylputrescineME616300----
NADNAD+ME616385----
NADHNADHME616386----
NADPNADP+ME616388----
NADPHNADPHME616389----
N-Alpha-acetyllysineN(2)-AcetyllysineME616334----
NiacinamideNiacinamideME616296----
Nicotinamide ribotideNicotinamide ribotideME616368----
O-AcetylserineO-AcetylserineME616313----
OrnithineOrnithineME616303----
Oxidized glutathioneOxidized glutathioneME616384----
PhosphorylcholineCholine phosphateME616331----
Pipecolic acidPipecolic acidME616299----
Propionyl-CoAPropionyl-CoAME616393----
PurinePurineME616293----
PutrescinePutrescineME616397----
PyridoxaminePyridoxamineME616322----
PyridoxinePyridoxineME616323----
RiboflavinRiboflavinME616377----
S-AdenosylhomocysteineS-AdenosylhomocysteineME616378----
S-AdenosylmethioninamineS-AdenosylmethioninamineME616374----
S-AdenosylmethionineS-AdenosylmethionineME616379----
SarcosineSarcosineME616400----
SerineSerineME616284----
SpermidineSpermidineME616398----
SpermineSpermineME616399----
S-Ribosyl-L-homocysteineS-RibosylhomocysteineME616354----
Succinyl-CoASuccinyl-CoAME616396----
ThiamineThiamineME616353----
Thiamine monophosphateThiamine monophosphateME616370----
ThymineThymineME616298----
UreaUreaME616275----
Ureidosuccinic acidN-Carbamoylaspartic acidME616328----
Uridine 5'-monophosphateUMPME616366----
Xanthylic acidXMPME616376----


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-MethionineMethionineME616583----
13C-SerineSerineME616582----
13C-taurineTaurineME616584----
13C-XanthineXanthineME616585----
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME616510----
2,4-Dihydroxybenzoic acid-ME616456----
2-deoxyglucose-6-phosphate2-Deoxy-D-glucose 6-phosphateME616580----
2-Isopropylmalic acid2-Isopropylmalic acidME616475----
2-Ketohexanoic acid2-Ketocaproic acidME616439----
2-Keto-L-gluconate2-Keto-L-gulonic acidME616489----
2-Oxo-4-methylthiobutanoic acid2-Oxo-4-methylthiobutanoic acidME616451----
3-Hydroxy-3-methylglutaryl-CoA3-Hydroxy-3-methylglutaryl-CoAME616579----
3-Hydroxybutyryl-CoA-ME616577----
3-Methylphenylacetic acid3-Methylphenylacetic acidME616453----
3-Methylthiopropionic acid3-Methyl-thiopropionic acidME616434----
3-Phosphoglyceric acid3-Phosphoglyceric acidME616483----
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME616458----
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME616446----
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME616480----
4-Pyridoxic acid4-Pyridoxic acidME616482----
5-Thymidylic aciddTMPME616521----
6-Phosphogluconic acid6-Phosphogluconic acidME616513----
6-Phosphonoglucono-D-lactone6-Phosphonoglucono-D-lactoneME616504----
acetoacetateAcetoacetic acidME616425----
Acetoacetyl-CoAAcetoacetyl-CoAME616575----
acetyl-CoAAcetyl-CoAME616572----
AcetylphosphateAcetylphosphateME616447----
Adenosine phosphosulfateAdenosine phosphosulfateME616540----
Adenosine triphosphateATPME616556----
ADPADPME616541----
ADP-glucoseADP-glucoseME616561----
Allantoic acidAllantoic acidME616473----
AllantoinAllantoinME616459----
Alpha-ketoisovaleric acidKetoisovaleric acidME616430----
Aminoadipic acidAminoadipic acidME616460----
Ascorbic acidVitamin CME616474----
Butyryl-CoAButyryl-CoAME616574----
Carbamoyl phosphateCarbamoylphosphateME616448----
CDPCDPME616535----
CDP-EthanolamineCDP-EthanolamineME616545----
CellobioseCellobioseME616526----
Cholesterol sulfateCholesterol sulfateME616547----
Cholic acidCholic acidME616537----
cis-Aconitic acidcis-Aconitic acidME616472----
CiticolineCDP-cholineME616553----
Citraconic acidCitraconic acidME616438----
Citramalic acidCitramalic acidME616452----
Citric acidCitric acidME616488----
Coenzyme ACoenzyme AME616571----
Cyclic AMP3',5' cyclic AMPME616522----
Cyclic-Di-GMP-ME616568----
Cytidine triphosphateCTPME616551----
D-2-HydroxyglutarateD-2-Hydroxyglutaric acidME616581----
dCDPdCDPME616530----
dCTPdCTPME616548----
Deoxyadenosine triphosphatedATPME616554----
Deoxycholic acidDeoxycholic acidME616532----
DeoxyinosineDeoxyinosineME616502----
Deoxyribose 1-phosphateDeoxyribose 1-phosphateME616495----
DeoxyuridineDeoxyuridineME616498----
Deoxyuridine triphosphatedUTPME616549----
Dephospho-CoA3'-Dephospho-CoAME616567----
D-Erythrose 4-phosphateErythrose 4-phosphateME616491----
dGDPdGDPME616542----
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME616469----
dGTPdGTPME616557----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME616468----
dTDPdTDPME616534----
dUMPdUMPME616518----
Farnesyl-PP-ME616528----
Flavin MononucleotideFMNME616546----
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME616523----
Fructose 6-phosphateFructose 6-phosphateME616508----
Fumaric acidFumaric acidME616428----
Geranyl-PPGeranyl diphosphateME616519----
Glucaric acidGlucaric acidME616494----
Gluconic acidGluconic acidME616490----
GluconolactoneGluconolactoneME616478----
Glucose 1-phosphateGlucose 1-phosphateME616506----
Glucose 6-phosphateGlucose 6-phosphateME616507----
GlutathioneGlutathioneME616517----
Glyceric acidGlyceric acidME616426----
Glyceric acid 1,3-biphosphateGlyceric acidME616509----
Glycerol 3-phosphatesn-Glycero-3-phosphateME616470----
GlycolateGlycolic acidME616422----
Glyoxylic acidGlyoxylic acidME616421----
Guanidoacetic acidGuanidoacetic acidME616431----
Guanosine 3',5'-bis(diphosphate)-ME616562----
Guanosine diphosphateGDPME616544----
Guanosine triphosphateGTPME616558----
hexose-phosphateHexose 6-phosphateME616505----
Hydroxyisocaproic acidHydroxyisocaproic acidME616442----
HypoxanthineHypoxanthineME616444----
IDPIDPME616543----
Indole-3-carboxylic acidIndole-3-carboxylic acidME616461----
Indoleacrylic acidIndoleacrylic acidME616484----
InosineInosineME616512----
Isocitric acidIsocitric acidME616487----
Kynurenic acidKynurenic acidME616485----
L-Homocysteic acidHomocysteic acidME616481----
L-Lactic acidLactic acidME616424----
L-Malic acidMalic acidME616443----
Maleic acidMaleic acidME616429----
Malonyl-CoAMalonyl-CoAME616576----
Methylmalonic acidMethylmalonic acidME616433----
myo-InositolMyo-inositolME616479----
NA-ME616486----
N-Acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME616516----
N-Acetyl-L-alanineN-AcetylalanineME616440----
NADNAD+ME616565----
NADHNADHME616566----
NADPNADP+ME616569----
NADPHNADPHME616570----
Nicotinic acidNicotinic acidME616435----
octulose-1_8-bisphosphate-ME616533----
Octulose?8-PhosphateOctulose 8-phosphateME616520----
Orotic acidOrotic acidME616457----
Orotidylic acidOrotidylic acidME616527----
Ortho-Hydroxyphenylacetic acid-ME616455----
Oxalacetic acidOxaloacetic acidME616441----
Oxidized glutathioneOxidized glutathioneME616564----
Oxoglutaric acid2-Oxoglutaric acidME616449----
p-Aminobenzoic acidp-Aminobenzoic acidME616445----
Pantothenic acidPantothenic acidME616496----
Phenyllactic acidPhenyllactic acidME616464----
Phenylpropiolic acidPhenylpropiolic acidME616450----
Phenylpyruvic acidPhenylpyruvic acidME616462----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME616466----
Phosphoribosyl pyrophosphatePhosphoribosyl pyrophosphateME616531----
PrephenatePrephenic acidME616497----
Propionyl-CoAPropionyl-CoAME616573----
Pyroglutamic acidPyroglutamic acidME616437----
PyrophosphatePyrophosphateME616477----
Pyruvic acidPyruvic acidME616423----
Quinolinic acidQuinolinic acidME616465----
Ribose 1-phosphateRibose 1-phosphateME616499----
(R)-lipoic acidLipoic acidME616493----
S-AdenosylhomocysteineS-AdenosylhomocysteineME616529----
Sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME616515----
Shikimate 3-phosphate3-Phosphoshikimic acidME616503----
Shikimic acidShikimic acidME616471----
S-Ribosyl-L-homocysteineS-RibosylhomocysteineME616511----
Succinic acidSuccinic acidME616432----
succinyl-CoASuccinyl-CoAME616578----
SucroseSucroseME616524----
TaurineTaurineME616436----
Taurodeoxycholic acidTaurodeoxycholic acidME616555----
Thiamine pyrophosphateThiamine diphosphateME616539----
ThymidineThymidineME616500----
Thymidine 5'-triphosphatedTTPME616550----
TrehaloseTrehaloseME616525----
Trehalose 6-phosphateTrehalose 6-phosphateME616538----
UracilUracilME616427----
Ureidosuccinic acidN-Carbamoylaspartic acidME616476----
Uric acidUric acidME616467----
UridineUridineME616501----
Uridine 5'-diphosphateUDPME616536----
Uridine diphosphate glucoseUDP-glucoseME616559----
Uridine diphosphate glucuronic acidUDP-glucuronic acidME616560----
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME616563----
Uridine triphosphateUTPME616552----
Vanillylmandelic acidVanillylmandelic acidME616463----
XanthineXanthineME616454----
XanthosineXanthosineME616514----
Xanthurenic acidXanthurenic acidME616492----


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