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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-Methyladenosine1-MethyladenosineME476796----
1-Methylnicotinamide1-Methyl nicotinamideME476660----
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME476788----
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME476831----
2-Oxo-4-methylthiobutanoic acid2-Oxo-4-methylthiobutanoic acidME476719----
Oxoglutaric acid2-Oxoglutaric acidME476688----
Cyclic AMP3',5' cyclic AMPME476653----
3-Hydroxybutyric acid3-Hydroxybutyric acidME476828----
3-hydroxyhexadecanoic acid3-Hydroxyhexadecanoic acidME476773----
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME476761----
3-Indolepropionic acid3-Indolepropionic acidME476784----
3-Methylhistidine3-MethylhistidineME476682----
2-Ketobutyric acid3-Methyl pyruvic acidME476786----
3-Methylthiopropionic acid3-Methyl-thiopropionic acidME476837----
3-Phosphoglyceric acid3-Phosphoglyceric acidME476665----
L-Dihydroorotic acid4,5-Dihydroorotic acidME476686----
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME476713----
4-Pyridoxic acid4-Pyridoxic acidME476847----
5-Methoxytryptophan5-MethoxytryptophanME476693----
5'-Methylthioadenosine5'-MethylthioadenosineME476668----
6-Phosphogluconic acid6-Phosphogluconic acidME476802----
6-Phosphonoglucono-D-lactone6-Phosphonoglucono-D-lactoneME476851----
7-Methylguanosine7-MethylguanosineME476744----
AcetylcholineAcetylcholineME476722----
Acetyl-CoAAcetyl-CoAME476864----
AdenineAdenineME476702----
AdenosineAdenosineME476772----
Adenosine phosphosulfateAdenosine phosphosulfateME476865----
ADPADPME476667----
ADP-glucoseADP-glucoseME476710----
AICARAICARME476853----
L-AlanineAlanineME476836----
AllantoinAllantoinME476683----
Aminoadipic acidAminoadipic acidME476780----
Adenosine monophosphateAMPME476797----
Arachidonic acidArachidonic acidME476762----
L-ArginineArginineME476691----
Argininosuccinic acidArgininosuccinic acidME476841----
L-AsparagineAsparagineME476731----
L-Aspartic acidAspartic acidME476765----
Adenosine triphosphateATPME476821----
BetaineBetaineME476776----
Caprylic acidCaprylic acidME476700----
L-PalmitoylcarnitineCAR 16:0ME476681----
L-AcetylcarnitineCAR 2:0ME476669----
PropionylcarnitineCAR 3:0ME476775----
ButyrylcarnitineCAR 4:0ME476680----
IsovalerylcarnitineCAR 4:0;3MeME476662----
HexanoylcarnitineCAR 6:0ME476844----
L-CarnitineCarnitineME476812----
CarnosineCarnosineME476849----
CDPCDPME476868----
CiticolineCDP-cholineME476827----
CDP-EthanolamineCDP-EthanolamineME476684----
Cholesterol sulfateCholesterol sulfateME476838----
Cholic acidCholic acidME476698----
CholineCholineME476839----
PhosphorylcholineCholine phosphateME476756----
4-Hydroxyprolinecis-4-HydroxyprolineME476699----
cis-Aconitic acidcis-Aconitic acidME476820----
Citric acidCitric acidME476852----
CitrullineCitrullineME476757----
Cytidine monophosphateCMPME476774----
Coenzyme ACoenzyme AME476726----
CreatineCreatineME476787----
CreatinineCreatinineME476770----
Cytidine triphosphateCTPME476736----
L-CystathionineCystathionineME476714----
L-CysteineCysteineME476861----
L-CystineCystineME476753----
CytidineCytidineME476701----
CytosineCytosineME476692----
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME476791----
Deoxyadenosine monophosphatedAMPME476672----
Deoxyadenosine triphosphatedATPME476673----
dCDPdCDPME476708----
dCMPdCMPME476709----
dCTPdCTPME476670----
DeoxyadenosineDeoxyadenosineME476832----
DeoxyinosineDeoxyinosineME476679----
Deoxyribose 5-phosphateDeoxyribose 5-phosphateME476749----
DeoxyuridineDeoxyuridineME476717----
dGDPdGDPME476721----
Asymmetric dimethylarginineDimethylarginineME476711----
DimethylglycineDimethylglycineME476771----
D-RibuloseD-RibuloseME476759----
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME476690----
5-Thymidylic aciddTMPME476745----
Thymidine 5'-triphosphatedTTPME476800----
D-Erythrose 4-phosphateErythrose 4-phosphateME476848----
FADFADME476794----
Flavin MononucleotideFMNME476790----
D-FructoseFructoseME476822----
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME476782----
Fructose 6-phosphateFructose 6-phosphateME476706----
Fumaric acidFumaric acidME476685----
Galactonic acidGalactonic acidME476829----
Guanosine diphosphateGDPME476689----
GDP-glucoseGDP-glucoseME476674----
Gluconic acidGluconic acidME476813----
GluconolactoneGluconolactoneME476748----
GlucosamineGlucosamineME476764----
Glucosamine 6-phosphateGlucosamine 6-phosphateME476807----
D-GlucoseGlucoseME476651----
Glucose 6-phosphateGlucose 6-phosphateME476777----
D-Glucuronic acidGlucuronic acidME476824----
L-Glutamic acidGlutamic acidME476697----
L-GlutamineGlutamineME476863----
GlutathioneGlutathioneME476810----
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME476767----
L-Glyceric acidGlyceric acidME476727----
GlycineGlycineME476783----
Guanosine monophosphateGMPME476823----
Guanosine triphosphateGTPME476656----
Guanidoacetic acidGuanidoacetic acidME476781----
GuanineGuanineME476859----
GuanosineGuanosineME476758----
Hippuric acidHippuric acidME476789----
L-HistidineHistidineME476866----
HomocysteineHomocysteineME476715----
Hydrocinnamic acidHydrocinnamic acidME476760----
HypotaurineHypotaurineME476815----
HypoxanthineHypoxanthineME476730----
IDPIDPME476814----
Inosinic acidIMPME476768----
IndoleIndoleME476755----
Indole-3-carboxylic acidIndole-3-carboxylic acidME476811----
Indolelactic acidIndolelactic acidME476742----
Indoxyl sulfateIndoxyl sulfateME476659----
InosineInosineME476808----
L-IsoleucineIsoleucineME476855----
Kynurenic acidKynurenic acidME476850----
L-KynurenineKynurenineME476799----
L-Lactic acidLactic acidME476733----
L-LeucineLeucineME476671----
L-LysineLysineME476860----
Malic acidMalic acidME476707----
L-MethionineMethionineME476694----
Methionine sulfoxideMethionine sulfoxideME476743----
MyoinositolMyo-inositolME476652----
N6-Acetyl-L-lysineN6-AcetyllysineME476779----
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME476729----
N-Acetyl-L-alanineN-AcetylalanineME476732----
N-AcetylasparagineN-AcetylasparagineME476720----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME476741----
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME476845----
AcetylcysteineN-AcetylcysteineME476754----
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME476795----
N-Acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME476728----
N-Acetylglutamic acidN-Acetylglutamic acidME476778----
N-AcetylglutamineN-AcetylglutamineME476675----
N-Acetyl-L-methionineN-AcetylmethionineME476857----
N-AcetylornithineN-AcetylornithineME476869----
N-AcetylputrescineN-AcetylputrescineME476793----
N-acetyltryptophanN-Acetyl-tryptophanME476661----
NADNAD+ME476746----
NADHNADHME476856----
NADPNADP+ME476763----
NADPHNADPHME476826----
Ureidosuccinic acidN-Carbamoylaspartic acidME476843----
N-Formyl-L-methionineN-FormylmethionineME476747----
NiacinamideNiacinamideME476809----
Nicotinamide ribosideNicotinamide ribosideME476751----
Nicotinamide ribotideNicotinamide ribotideME476657----
Nicotinic acidNicotinic acidME476725----
Nicotinic acid adenine dinucleotideNicotinic acid adenine dinucleotideME476803----
Nicotinic acid mononucleotideNicotinic acid mononucleotideME476801----
OrnithineOrnithineME476740----
Orotic acidOrotic acidME476695----
Oxalacetic acidOxaloacetic acidME476703----
Oxidized glutathioneOxidized glutathioneME476696----
Palmitic acidPalmitic acidME476664----
Pantothenic acidPantothenic acidME476739----
PhenylacetylglycinePhenylacetylglycineME476687----
L-PhenylalaninePhenylalanineME476738----
Phenyllactic acidPhenyllactic acidME476723----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME476806----
PhosphoserinePhosphoserineME476737----
L-ProlineProlineME476734----
PurinePurineME476718----
PyridoxinePyridoxineME476792----
Pyroglutamic acidPyroglutamic acidME476712----
Pyruvic acidPyruvic acidME476750----
RiboflavinRiboflavinME476705----
D-RiboseRiboseME476735----
D-Ribose 5-phosphateRibose 5-phosphateME476816----
D-Ribulose 5-phosphateRibulose 5-phosphateME476724----
S-AdenosylhomocysteineS-AdenosylhomocysteineME476663----
S-AdenosylmethionineS-AdenosylmethionineME476818----
Sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME476677----
L-SerineSerineME476785----
Glycerol 3-phosphatesn-Glycero-3-phosphateME476846----
Glycerophosphocholinesn-Glycero-3-phosphocholineME476854----
Succinic acidSuccinic acidME476867----
Succinyl-CoASuccinyl-CoAME476716----
TaurineTaurineME476676----
Taurochenodesoxycholic acidTaurochenodeoxycholic acidME476704----
ThiamineThiamineME476654----
Thiamine monophosphateThiamine monophosphateME476655----
Threonic acidThreonic acidME476835----
L-ThreonineThreonineME476666----
ThymidineThymidineME476658----
ThymineThymineME476833----
L-TryptophanTryptophanME476804----
L-TyrosineTyrosineME476819----
Uridine 5'-diphosphateUDPME476862----
Uridine diphosphate glucoseUDP-glucoseME476842----
Uridine diphosphate glucuronic acidUDP-glucuronic acidME476858----
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME476766----
Uridine 5'-monophosphateUMPME476752----
UracilUracilME476798----
Uric acidUric acidME476769----
UridineUridineME476834----
Urocanic acidUrocanic acidME476817----
Uridine triphosphateUTPME476840----
L-ValineValineME476805----
Ascorbic acidVitamin CME476678----
XanthineXanthineME476825----
Xanthurenic acidXanthurenic acidME476830----


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
1-Methyladenosine1-MethyladenosineME477015----
1-Methylnicotinamide1-Methyl nicotinamideME476879----
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME477007----
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME477050----
2-Oxo-4-methylthiobutanoic acid2-Oxo-4-methylthiobutanoic acidME476938----
Oxoglutaric acid2-Oxoglutaric acidME476907----
Cyclic AMP3',5' cyclic AMPME476872----
3-Hydroxybutyric acid3-Hydroxybutyric acidME477047----
3-hydroxyhexadecanoic acid3-Hydroxyhexadecanoic acidME476992----
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME476980----
3-Indolepropionic acid3-Indolepropionic acidME477003----
3-Methylhistidine3-MethylhistidineME476901----
2-Ketobutyric acid3-Methyl pyruvic acidME477005----
3-Methylthiopropionic acid3-Methyl-thiopropionic acidME477056----
3-Phosphoglyceric acid3-Phosphoglyceric acidME476884----
L-Dihydroorotic acid4,5-Dihydroorotic acidME476905----
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME476932----
4-Pyridoxic acid4-Pyridoxic acidME477066----
5-Methoxytryptophan5-MethoxytryptophanME476912----
5'-Methylthioadenosine5'-MethylthioadenosineME476887----
6-Phosphogluconic acid6-Phosphogluconic acidME477021----
6-Phosphonoglucono-D-lactone6-Phosphonoglucono-D-lactoneME477070----
7-Methylguanosine7-MethylguanosineME476963----
AcetylcholineAcetylcholineME476941----
Acetyl-CoAAcetyl-CoAME477083----
AdenineAdenineME476921----
AdenosineAdenosineME476991----
Adenosine phosphosulfateAdenosine phosphosulfateME477084----
ADPADPME476886----
ADP-glucoseADP-glucoseME476929----
AICARAICARME477072----
L-AlanineAlanineME477055----
AllantoinAllantoinME476902----
Aminoadipic acidAminoadipic acidME476999----
Adenosine monophosphateAMPME477016----
Arachidonic acidArachidonic acidME476981----
L-ArginineArginineME476910----
Argininosuccinic acidArgininosuccinic acidME477060----
L-AsparagineAsparagineME476950----
L-Aspartic acidAspartic acidME476984----
Adenosine triphosphateATPME477040----
BetaineBetaineME476995----
Caprylic acidCaprylic acidME476919----
L-PalmitoylcarnitineCAR 16:0ME476900----
L-AcetylcarnitineCAR 2:0ME476888----
PropionylcarnitineCAR 3:0ME476994----
ButyrylcarnitineCAR 4:0ME476899----
IsovalerylcarnitineCAR 4:0;3MeME476881----
HexanoylcarnitineCAR 6:0ME477063----
L-CarnitineCarnitineME477031----
CarnosineCarnosineME477068----
CDPCDPME477087----
CiticolineCDP-cholineME477046----
CDP-EthanolamineCDP-EthanolamineME476903----
Cholesterol sulfateCholesterol sulfateME477057----
Cholic acidCholic acidME476917----
CholineCholineME477058----
PhosphorylcholineCholine phosphateME476975----
4-Hydroxyprolinecis-4-HydroxyprolineME476918----
cis-Aconitic acidcis-Aconitic acidME477039----
Citric acidCitric acidME477071----
CitrullineCitrullineME476976----
Cytidine monophosphateCMPME476993----
Coenzyme ACoenzyme AME476945----
CreatineCreatineME477006----
CreatinineCreatinineME476989----
Cytidine triphosphateCTPME476955----
L-CystathionineCystathionineME476933----
L-CysteineCysteineME477080----
L-CystineCystineME476972----
CytidineCytidineME476920----
CytosineCytosineME476911----
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME477010----
Deoxyadenosine monophosphatedAMPME476891----
Deoxyadenosine triphosphatedATPME476892----
dCDPdCDPME476927----
dCMPdCMPME476928----
dCTPdCTPME476889----
DeoxyadenosineDeoxyadenosineME477051----
DeoxyinosineDeoxyinosineME476898----
Deoxyribose 5-phosphateDeoxyribose 5-phosphateME476968----
DeoxyuridineDeoxyuridineME476936----
dGDPdGDPME476940----
Asymmetric dimethylarginineDimethylarginineME476930----
DimethylglycineDimethylglycineME476990----
D-RibuloseD-RibuloseME476978----
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME476909----
5-Thymidylic aciddTMPME476964----
Thymidine 5'-triphosphatedTTPME477019----
D-Erythrose 4-phosphateErythrose 4-phosphateME477067----
FADFADME477013----
Flavin MononucleotideFMNME477009----
D-FructoseFructoseME477041----
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME477001----
Fructose 6-phosphateFructose 6-phosphateME476925----
Fumaric acidFumaric acidME476904----
Galactonic acidGalactonic acidME477048----
Guanosine diphosphateGDPME476908----
GDP-glucoseGDP-glucoseME476893----
Gluconic acidGluconic acidME477032----
GluconolactoneGluconolactoneME476967----
GlucosamineGlucosamineME476983----
Glucosamine 6-phosphateGlucosamine 6-phosphateME477026----
D-GlucoseGlucoseME476870----
Glucose 6-phosphateGlucose 6-phosphateME476996----
D-Glucuronic acidGlucuronic acidME477043----
L-Glutamic acidGlutamic acidME476916----
L-GlutamineGlutamineME477082----
GlutathioneGlutathioneME477029----
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME476986----
L-Glyceric acidGlyceric acidME476946----
GlycineGlycineME477002----
Guanosine monophosphateGMPME477042----
Guanosine triphosphateGTPME476875----
Guanidoacetic acidGuanidoacetic acidME477000----
GuanineGuanineME477078----
GuanosineGuanosineME476977----
Hippuric acidHippuric acidME477008----
L-HistidineHistidineME477085----
HomocysteineHomocysteineME476934----
Hydrocinnamic acidHydrocinnamic acidME476979----
HypotaurineHypotaurineME477034----
HypoxanthineHypoxanthineME476949----
IDPIDPME477033----
Inosinic acidIMPME476987----
IndoleIndoleME476974----
Indole-3-carboxylic acidIndole-3-carboxylic acidME477030----
Indolelactic acidIndolelactic acidME476961----
Indoxyl sulfateIndoxyl sulfateME476878----
InosineInosineME477027----
L-IsoleucineIsoleucineME477074----
Kynurenic acidKynurenic acidME477069----
L-KynurenineKynurenineME477018----
L-Lactic acidLactic acidME476952----
L-LeucineLeucineME476890----
L-LysineLysineME477079----
Malic acidMalic acidME476926----
L-MethionineMethionineME476913----
Methionine sulfoxideMethionine sulfoxideME476962----
MyoinositolMyo-inositolME476871----
N6-Acetyl-L-lysineN6-AcetyllysineME476998----
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME476948----
N-Acetyl-L-alanineN-AcetylalanineME476951----
N-AcetylasparagineN-AcetylasparagineME476939----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME476960----
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME477064----
AcetylcysteineN-AcetylcysteineME476973----
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME477014----
N-Acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME476947----
N-Acetylglutamic acidN-Acetylglutamic acidME476997----
N-AcetylglutamineN-AcetylglutamineME476894----
N-Acetyl-L-methionineN-AcetylmethionineME477076----
N-AcetylornithineN-AcetylornithineME477088----
N-AcetylputrescineN-AcetylputrescineME477012----
N-acetyltryptophanN-Acetyl-tryptophanME476880----
NADNAD+ME476965----
NADHNADHME477075----
NADPNADP+ME476982----
NADPHNADPHME477045----
Ureidosuccinic acidN-Carbamoylaspartic acidME477062----
N-Formyl-L-methionineN-FormylmethionineME476966----
NiacinamideNiacinamideME477028----
Nicotinamide ribosideNicotinamide ribosideME476970----
Nicotinamide ribotideNicotinamide ribotideME476876----
Nicotinic acidNicotinic acidME476944----
Nicotinic acid adenine dinucleotideNicotinic acid adenine dinucleotideME477022----
Nicotinic acid mononucleotideNicotinic acid mononucleotideME477020----
OrnithineOrnithineME476959----
Orotic acidOrotic acidME476914----
Oxalacetic acidOxaloacetic acidME476922----
Oxidized glutathioneOxidized glutathioneME476915----
Palmitic acidPalmitic acidME476883----
Pantothenic acidPantothenic acidME476958----
PhenylacetylglycinePhenylacetylglycineME476906----
L-PhenylalaninePhenylalanineME476957----
Phenyllactic acidPhenyllactic acidME476942----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME477025----
PhosphoserinePhosphoserineME476956----
L-ProlineProlineME476953----
PurinePurineME476937----
PyridoxinePyridoxineME477011----
Pyroglutamic acidPyroglutamic acidME476931----
Pyruvic acidPyruvic acidME476969----
RiboflavinRiboflavinME476924----
D-RiboseRiboseME476954----
D-Ribose 5-phosphateRibose 5-phosphateME477035----
D-Ribulose 5-phosphateRibulose 5-phosphateME476943----
S-AdenosylhomocysteineS-AdenosylhomocysteineME476882----
S-AdenosylmethionineS-AdenosylmethionineME477037----
Sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME476896----
L-SerineSerineME477004----
Glycerol 3-phosphatesn-Glycero-3-phosphateME477065----
Glycerophosphocholinesn-Glycero-3-phosphocholineME477073----
Succinic acidSuccinic acidME477086----
Succinyl-CoASuccinyl-CoAME476935----
TaurineTaurineME476895----
Taurochenodesoxycholic acidTaurochenodeoxycholic acidME476923----
ThiamineThiamineME476873----
Thiamine monophosphateThiamine monophosphateME476874----
Threonic acidThreonic acidME477054----
L-ThreonineThreonineME476885----
ThymidineThymidineME476877----
ThymineThymineME477052----
L-TryptophanTryptophanME477023----
L-TyrosineTyrosineME477038----
Uridine 5'-diphosphateUDPME477081----
Uridine diphosphate glucoseUDP-glucoseME477061----
Uridine diphosphate glucuronic acidUDP-glucuronic acidME477077----
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME476985----
Uridine 5'-monophosphateUMPME476971----
UracilUracilME477017----
Uric acidUric acidME476988----
UridineUridineME477053----
Urocanic acidUrocanic acidME477036----
Uridine triphosphateUTPME477059----
L-ValineValineME477024----
Ascorbic acidVitamin CME476897----
XanthineXanthineME477044----
Xanthurenic acidXanthurenic acidME477049----


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