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Analysis: Ion exchange UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,5-Anhydro-D-glucitol1,5-AnhydrosorbitolME704828----
1,6-Anhydro-beta-D-glucoseGlucosanME704902----
2,3-Bisphosphoglycerate-ME704829----
2,3-Pyridinedicarboxylic acidQuinolinic acidME704934----
2'-Deoxycytidine 5'-monophosphatedCMPME704861----
2-deoxyribose 5-phosphateDeoxyribose 5-phosphateME704863----
2'-Deoxyuridine 5'-phosphate-ME704867----
2-Ethylhexanoic acidalpha-Ethylcaproic acidME704830----
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME704833----
2-Hydroxy glutaric acid2-Hydroxyglutaric acidME704831----
2-Ketoadipic acidOxoadipic acidME704834----
2-Ketoglutaric acid2-Oxoglutaric acidME704836----
2-Phospho-D-glyceric acid2-Phosphoglyceric acidME704926----
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME704837----
5-aminoimidazole-4-carboxamide-1-β-D-ribofuranosy...-ME704843----
6-Phosphogluconic acid6-Phosphogluconic acidME704839----
AcetylglycineN-AcetylglycineME704840----
Adenosine 3',5'-cyclic monophosphate3',5' cyclic AMPME704851----
Adenosine 5'-diphosphateADPME704841----
Adenosine 5'-diphosphate ribose-ME704842----
Adenosine 5'-monophosphateAMPME704846----
Adenosine 5'-triphosphateATPME704848----
Adenylosuccinic acidAdenylsuccinic acidME704940----
Allantoic acidAllantoic acidME704844----
AllantoinAllantoinME704845----
Alpha-Ketovaline-ME704835----
Azelaic acidAzelaic acidME704849----
Beta-LactoseLactoseME704850----
Caproic acidCaproic acidME704872----
cis-Aconitic acidcis-Aconitic acidME704853----
Citric acidCitric acidME704854----
Coenzyme ACoenzyme AME704856----
Creatine phosphatePhosphocreatineME704857----
Cytidine 5'-diphosphateCDPME704852----
Cytidine-5'-monophosphateCMPME704855----
Cytidine 5'-triphosphateCTPME704858----
D-ArabitolArabitolME704847----
Deoxyadenosine 5'-triphosphate-ME704860----
Deoxycytidine 5'-triphosphatedCTPME704862----
Deoxythymidine 5'-diphosphate-ME704864----
Deoxythymidine 5'-monophosphate-ME704865----
Deoxythymidine 5'-triphosphatedTTPME704866----
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME704871----
D-Fructose 1-phosphateFructose 1-phosphateME704868----
D-Fructose 6-phosphateFructose 6-phosphateME704869----
D-GalactosamineGalactosamineME704878----
D-Galactose 1-phosphateGalactose 1-phosphateME704876----
D-Glucaric acidGlucaric acidME704881----
D-Gluconic acidGluconic acidME704882----
D-Glucose 1-phosphateGlucose 1-phosphateME704874----
D-Glucose 6-phosphateGlucose 6-phosphateME704875----
D-Glucuronic acidGlucuronic acidME704883----
DL-4-Hydroxyphenyllactic acidHydroxyphenyllactic acidME704838----
DL-Beta-Phenyllactic acidPhenyllactic acidME704927----
D-Mannose 6-phosphateMannose 6-phosphateME704903----
D-Sedoheputulose 7-phosphate-ME704935----
D-Sorbitol 6-phosphate-ME704936----
Flavin adenine dinucleotideFADME704870----
Fumaric acidFumaric acidME704873----
GalactitolGalactitolME704877----
GDP-D-mannose-ME704880----
GlycerolGlycerolME704884----
Glycerol 3-phosphatesn-Glycero-3-phosphateME704886----
Guanosine 5'-diphosphateGDPME704879----
Guanosine 5'-monophosphateGMPME704885----
Guanosine 5'-triphosphateGTPME704887----
HexoseHexoseME704888----
Hippuric acidHippuric acidME704889----
HydrocinnamateHydrocinnamic acidME704891----
Hydroxybutyric acid (2-Hydroxybutyric acid, 3-Hydr...-ME704832----
HypoxanthineHypoxanthineME704892----
Inosine 5'-diphosphateIDPME704893----
Inosine 5'-monophosphateIMPME704894----
Inosine 5'-triphosphateITPME704896----
Isocitric acidIsocitric acidME704895----
Ketoisoleucine3-Methyl-2-oxovaleric acidME704897----
KetoleucineKetoleucineME704898----
Lactic acidLactic acidME704899----
LactitolLactitolME704900----
L-Cysteic acidCysteic acidME704859----
Leucinic acidLeucinic acidME704901----
L-Homocysteic acidHomocysteic acidME704890----
L-Pyroglutamic acidPyroglutamic acidME704932----
L-Threonic acidThreonic acidME704944----
Maleic acidMaleic acidME704905----
Malic acidMalic acidME704904----
MaltotetraoseMaltotetraoseME704906----
Na-Acetyl-L-asparagineN-AcetylasparagineME704908----
N-Acetyl-D-galactosamineN-Acetyl-D-galactosamineME704910----
N-Acetyl-D-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME704913----
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME704914----
N-Acetyl-DL-alanine-ME704907----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME704909----
N-Acetyl-L-glutamateN-Acetylglutamic acidME704912----
N-Acetyl-L-glutamineN-AcetylglutamineME704911----
N-Acetyl-L-leucineN-AcetylleucineME704915----
N-Carbamoyl-L-aspartateCarbamoylaspartateME704917----
Nicotinamide adenine dinucleotideNADME704916----
O-Acetyl-L-homoserineO-Acetyl-homoserineME704918----
O-Acetyl-L-serineO-AcetylserineME704919----
O-Phospho-L-serinePhosphoserineME704920----
Orotic acidOrotic acidME704921----
PantothenatePantothenic acidME704922----
PentoseGalacturonic acidME704923----
Pentose monophosphateRibose 5-phosphateME704924----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME704925----
Phosphoribosyl pyrophosphatePhosphoribosyl pyrophosphateME704929----
Phosphoric acidPhosphoric acidME704928----
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME704931----
PyrophosphatePyrophosphateME704933----
Pyruvic acidPyruvic acidME704930----
S-Sulfo-L-cysteineCysteine-S-sulfateME704937----
Suberic acidSuberic acidME704938----
Succinic acidSuccinic acidME704939----
Tartaric acidTartaric acidME704941----
TaurineTaurineME704942----
Thiamine pyrophosphateThiamine diphosphateME704943----
ThymidineThymidineME704945----
UDP-alpha-D-galactose-ME704947----
UDP-N-acetyl-alpha-D-glucosamineUDP-N-acetylglucosamineME704950----
Uric acidUric acidME704952----
UridineUridineME704953----
Uridine 5'-diphosphateUDPME704946----
Uridine 5'-diphosphate glucose-ME704948----
Uridine 5’-diphosphate (UDP)-D-glucuronate-ME704949----
Uridine 5'-monophosphateUMPME704951----
Uridine 5'-triphosphateUTPME704954----


Analysis: Reversed phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Methylhistidine1-MethylhistidineME704955----
3-Cyano-L-alanineDihydrouracilME704958----
4-Guanidinobutanoate4-Guanidinobutanoic acidME704960----
4-Hydroxy-L-prolinecis-4-HydroxyprolineME704961----
5'-Methylthioadenosine5'-MethylthioadenosineME704962----
AcetylglycineN-AcetylglycineME704963----
AdenineAdenineME704964----
AdenosineAdenosineME704965----
Adenylosuccinic acidAdenylsuccinic acidME705036----
AllantoinAllantoinME704967----
Amino adipic acidAminoadipic acidME704968----
Beta-Alaninebeta-AlanineME704974----
Beta-glutamic acidIsoglutamic acidME704975----
BetaineBetaineME704976----
CarnitineCarnitineME704977----
CarnosineCarnosineME704978----
CholineCholineME704979----
CreatineCreatineME704981----
CreatinineCreatinineME704982----
CytidineCytidineME704985----
CytosineCytosineME704986----
DimethylglycineDimethylglycineME704987----
DL-2-Hydroxybutyric acid-ME704956----
EthanolamineEthanolamineME704988----
GlycerolGlycerolME704990----
Glycerophosphocholinesn-Glycero-3-phosphocholineME704991----
GlycineGlycineME704989----
Glycolic acidGlycolic acidME704992----
GlycylglycineGly-GlyME704993----
GuanineGuanineME704998----
GuanosineGuanosineME704999----
HistamineHistamineME705001----
Hydroxybutyric acid (3-Hydroxybutyric acid, 2-Hydr...-ME704957----
HypotaurineHypotaurineME705004----
HypoxanthineHypoxanthineME705005----
Imidazole lactateImidazolelactic acidME705007----
Indoxyl sulfateIndoxyl sulfateME705008----
InosineInosineME705009----
L-AlanineAlanineME704966----
L-ArginineArginineME704969----
L-ArgininosuccinateArgininosuccinic acidME704970----
L-AsparagineAsparagineME704971----
L-Asparate-ME704972----
L-CitrullineCitrullineME704980----
L-CysteineCysteineME704983----
L-CystineCystineME704984----
L-Glutamic acidGlutamic acidME704995----
L-GlutamineGlutamineME704994----
L-HistidineHistidineME705000----
L-HomoarginineHomoarginineME705002----
L-HomocitrullineHomocitrullineME705003----
L-IsoleucineIsoleucineME705006----
L-KynurenineKynurenineME705010----
L-LeucineLeucineME705011----
L-LysineLysineME705012----
L-MethionineMethionineME705013----
L-Norvaline2S-Aminopentanoic acidME705022----
L-PhenylalaninePhenylalanineME705026----
L-ProlineProlineME705028----
L-Pyroglutamic acidPyroglutamic acidME705032----
L-SerineSerineME705035----
L-ThreonineThreonineME705038----
L-TryptophanTryptophanME705042----
L-TyrosineTyrosineME705043----
L-ValineValineME705047----
N2-Acetyl- L-lysineN(2)-AcetyllysineME705017----
N2-Acetyl-L-ornithineN-AcetylornithineME705018----
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME705041----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME705014----
N-Acetyl-L-glutamateN-Acetylglutamic acidME705016----
N-Acetyl-L-glutamineN-AcetylglutamineME705015----
NicotinamideNiacinamideME705019----
Nicotinamide mononucleotideNicotinamide ribotideME705021----
N-methylethanolamine-ME705020----
N,N-DimethylarginineDimethylarginineME704973----
O-PhosphoethanolaminePhosphoethanolamineME705023----
O-Phospho-L-serinePhosphoserineME705024----
Oxidized glutathioneOxidized glutathioneME704997----
PantothenatePantothenic acidME705025----
PhosphocholineCholine phosphateME705027----
Propionic acidPropionic acidME705029----
PyridoxalPyridoxalME705031----
Pyruvic acidPyruvic acidME705030----
rac 3-Hydroxyisobutyric acid-ME704959----
Reduced glutathioneGlutathioneME704996----
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME705033----
S-AdenosylmethionineS-AdenosylmethionineME705034----
TaurineTaurineME705037----
ThymidineThymidineME705039----
TrigonellineTrigonellineME705040----
UracilUracilME705044----
UridineUridineME705045----
Urocanic acidUrocanic acidME705046----
XanthineXanthineME705048----
XanthosineXanthosineME705049----


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Acylcarnitine 10:0CAR 10:0ME705065----
Acylcarnitine 12:0CAR 12:0ME705066----
Acylcarnitine 14:0CAR 14:0ME705067----
Acylcarnitine 16:0CAR 16:0ME705068----
Acylcarnitine 18:0CAR 18:0ME705069----
Acylcarnitine 18:1CAR 18:1ME705070----
Acylcarnitine 2:0CAR 2:0ME705061----
Acylcarnitine 4:0CAR 4:0ME705062----
Acylcarnitine 6:0CAR 6:0ME705063----
Acylcarnitine 8:0CAR 8:0ME705064----
Acylcoenzyme A 10:0-ME705055----
Acylcoenzyme A 12:0-ME705056----
Acylcoenzyme A 14:0-ME705057----
Acylcoenzyme A 16:0-ME705058----
Acylcoenzyme A 18:0-ME705059----
Acylcoenzyme A 18:1-ME705060----
Acylcoenzyme A 2:0-ME705050----
Acylcoenzyme A 3:0-ME705051----
Acylcoenzyme A 4:0-ME705052----
Acylcoenzyme A 6:0-ME705053----
Acylcoenzyme A 8:0-ME705054----


Analysis: Normal phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
DG 16:0_16:0DG 16:0_16:0ME705246----
DG 16:0_18:0DG 16:0_18:0ME705247----
DG 16:0_18:1DG 16:0_18:1ME705249----
DG 16:0_18:2DG 16:0_18:2ME705252----
DG 16:0_20:4DG 16:0_20:4ME705256----
DG 16:0_20:5DG 16:0_20:5ME705261----
DG 16:0_22:5DG 16:0_22:5ME705267----
DG 16:0_22:6DG 16:0_22:6ME705274----
DG 18:0_18:0DG 18:0_18:0ME705248----
DG 18:0_18:1DG 18:0_18:1ME705250----
DG 18:0_18:2DG 18:0_18:2ME705253----
DG 18:0_20:4DG 18:0_20:4ME705257----
DG 18:0_20:5DG 18:0_20:5ME705262----
DG 18:0_22:5DG 18:0_22:5ME705268----
DG 18:0_22:6DG 18:0_22:6ME705275----
DG 18:1_18:1DG 18:1_18:1ME705251----
DG 18:1_18:2DG 18:1_18:2ME705254----
DG 18:1_20:4DG 18:1_20:4ME705258----
DG 18:1_20:5DG 18:1_20:5ME705263----
DG 18:1_22:5DG 18:1_22:5ME705269----
DG 18:1_22:6DG 18:1_22:6ME705276----
DG 18:2_18:2DG 18:2_18:2ME705255----
DG 18:2_20:4DG 18:2_20:4ME705259----
DG 18:2_20:5DG 18:2_20:5ME705264----
DG 18:2_22:5DG 18:2_22:5ME705270----
DG 18:2_22:6DG 18:2_22:6ME705277----
DG 20:4_20:4DG 20:4_20:4ME705260----
DG 20:4_20:5DG 20:4_20:5ME705265----
DG 20:4_22:5DG 20:4_22:5ME705271----
DG 20:4_22:6DG 20:4_22:6ME705278----
DG 20:5_20:5DG 20:5_20:5ME705266----
DG 20:5_22:5DG 20:5_22:5ME705272----
DG 20:5_22:6DG 20:5_22:6ME705279----
DG 22:5_22:5DG 22:5_22:5ME705273----
DG 22:5_22:6DG 22:5_22:6ME705280----
DG 22:6_22:6DG 22:6_22:6ME705281----
FA 16:0Palmitic acidME705071----
FA 18:0Stearic acidME705072----
FA 18:1Octadecenoic acidME705073----
FA 18:2Octadecadienoic acidME705074----
FA 20:4Arachidonic acidME705075----
FA 20:5Eicosapentaenoic acidME705076----
FA 22:5Docosapentaenoic acidME705077----
FA 22:6DHAME705078----
TG 36:0TG 36:0ME705079----
TG 38:0TG 38:0ME705080----
TG 38:1TG 38:1ME705081----
TG 40:0TG 40:0ME705082----
TG 40:1TG 40:1ME705083----
TG 40:2TG 40:2ME705084----
TG 42:0TG 42:0ME705085----
TG 42:1TG 42:1ME705086----
TG 42:2TG 42:2ME705087----
TG 42:3TG 42:3ME705088----
TG 42:4TG 42:4ME705089----
TG 44:0TG 44:0ME705090----
TG 44:1TG 44:1ME705091----
TG 44:2TG 44:2ME705092----
TG 44:3TG 44:3ME705093----
TG 44:4TG 44:4ME705094----
TG 44:5TG 44:5ME705095----
TG 46:0TG 46:0ME705096----
TG 46:1TG 46:1ME705097----
TG 46:2TG 46:2ME705098----
TG 46:3TG 46:3ME705099----
TG 46:4TG 46:4ME705100----
TG 46:5TG 46:5ME705101----
TG 46:6TG 46:6ME705102----
TG 48:0TG 48:0ME705103----
TG 48:1TG 48:1ME705104----
TG 48:2TG 48:2ME705105----
TG 48:3TG 48:3ME705106----
TG 48:4TG 48:4ME705107----
TG 48:5TG 48:5ME705108----
TG 48:6TG 48:6ME705109----
TG 48:7TG 48:7ME705110----
TG 48:8TG 48:8ME705111----
TG 50:0TG 50:0ME705112----
TG 50:1TG 50:1ME705113----
TG 50:2TG 50:2ME705114----
TG 50:3TG 50:3ME705115----
TG 50:4TG 50:4ME705116----
TG 50:5TG 50:5ME705117----
TG 50:6TG 50:6ME705118----
TG 50:7TG 50:7ME705119----
TG 50:8TG 50:8ME705120----
TG 50:9TG 50:9ME705121----
TG 51:0TG 51:0ME705122----
TG 52:0TG 52:0ME705123----
TG 52:1TG 52:1ME705124----
TG 52:10TG 52:10ME705125----
TG 52:2TG 52:2ME705126----
TG 52:3TG 52:3ME705127----
TG 52:4TG 52:4ME705128----
TG 52:5TG 52:5ME705129----
TG 52:6TG 52:6ME705130----
TG 52:7TG 52:7ME705131----
TG 52:8TG 52:8ME705132----
TG 52:9TG 52:9ME705133----
TG 54:0TG 54:0ME705134----
TG 54:1TG 54:1ME705135----
TG 54:10TG 54:10ME705136----
TG 54:11TG 54:11ME705137----
TG 54:12TG 54:12ME705138----
TG 54:2TG 54:2ME705139----
TG 54:3TG 54:3ME705140----
TG 54:4TG 54:4ME705141----
TG 54:5TG 54:5ME705142----
TG 54:6TG 54:6ME705143----
TG 54:7TG 54:7ME705144----
TG 54:8TG 54:8ME705145----
TG 54:9TG 54:9ME705146----
TG 56:0TG 56:0ME705147----
TG 56:1TG 56:1ME705148----
TG 56:10TG 56:10ME705149----
TG 56:11TG 56:11ME705150----
TG 56:12TG 56:12ME705151----
TG 56:13TG 56:13ME705152----
TG 56:2TG 56:2ME705153----
TG 56:3TG 56:3ME705154----
TG 56:4TG 56:4ME705155----
TG 56:5TG 56:5ME705156----
TG 56:6TG 56:6ME705157----
TG 56:7TG 56:7ME705158----
TG 56:8TG 56:8ME705159----
TG 56:9TG 56:9ME705160----
TG 58:0TG 58:0ME705161----
TG 58:1TG 58:1ME705162----
TG 58:10TG 58:10ME705163----
TG 58:11TG 58:11ME705164----
TG 58:12TG 58:12ME705165----
TG 58:13TG 58:13ME705166----
TG 58:14TG 58:14ME705167----
TG 58:2TG 58:2ME705168----
TG 58:3TG 58:3ME705169----
TG 58:4TG 58:4ME705170----
TG 58:5TG 58:5ME705171----
TG 58:6TG 58:6ME705172----
TG 58:7TG 58:7ME705173----
TG 58:8TG 58:8ME705174----
TG 58:9TG 58:9ME705175----
TG 60:0TG 60:0ME705176----
TG 60:1TG 60:1ME705177----
TG 60:10TG 60:10ME705178----
TG 60:11TG 60:11ME705179----
TG 60:12TG 60:12ME705180----
TG 60:13TG 60:13ME705181----
TG 60:14TG 60:14ME705182----
TG 60:15TG 60:15ME705183----
TG 60:2TG 60:2ME705184----
TG 60:3TG 60:3ME705185----
TG 60:4TG 60:4ME705186----
TG 60:5TG 60:5ME705187----
TG 60:6TG 60:6ME705188----
TG 60:7TG 60:7ME705189----
TG 60:8TG 60:8ME705190----
TG 60:9TG 60:9ME705191----
TG 62:0TG 62:0ME705192----
TG 62:1TG 62:1ME705193----
TG 62:10TG 62:10ME705194----
TG 62:11TG 62:11ME705195----
TG 62:12TG 62:12ME705196----
TG 62:13TG 62:13ME705197----
TG 62:14TG 62:14ME705198----
TG 62:15TG 62:15ME705199----
TG 62:16TG 62:16ME705200----
TG 62:2TG 62:2ME705201----
TG 62:3TG 62:3ME705202----
TG 62:4TG 62:4ME705203----
TG 62:5TG 62:5ME705204----
TG 62:6TG 62:6ME705205----
TG 62:7TG 62:7ME705206----
TG 62:8TG 62:8ME705207----
TG 62:9TG 62:9ME705208----
TG 64:0TG 64:0ME705209----
TG 64:1TG 64:1ME705210----
TG 64:10TG 64:10ME705211----
TG 64:11TG 64:11ME705212----
TG 64:12TG 64:12ME705213----
TG 64:13TG 64:13ME705214----
TG 64:14TG 64:14ME705215----
TG 64:15TG 64:15ME705216----
TG 64:16TG 64:16ME705217----
TG 64:17TG 64:17ME705218----
TG 64:2TG 64:2ME705219----
TG 64:3TG 64:3ME705220----
TG 64:4TG 64:4ME705221----
TG 64:5TG 64:5ME705222----
TG 64:6TG 64:6ME705223----
TG 64:7TG 64:7ME705224----
TG 64:8TG 64:8ME705225----
TG 64:9TG 64:9ME705226----
TG 66:0TG 66:0ME705227----
TG 66:1TG 66:1ME705228----
TG 66:10TG 66:10ME705229----
TG 66:11TG 66:11ME705230----
TG 66:12TG 66:12ME705231----
TG 66:13TG 66:13ME705232----
TG 66:14TG 66:14ME705233----
TG 66:15TG 66:15ME705234----
TG 66:16TG 66:16ME705235----
TG 66:17TG 66:17ME705236----
TG 66:18TG 66:18ME705237----
TG 66:2TG 66:2ME705238----
TG 66:3TG 66:3ME705239----
TG 66:4TG 66:4ME705240----
TG 66:5TG 66:5ME705241----
TG 66:6TG 66:6ME705242----
TG 66:7TG 66:7ME705243----
TG 66:8TG 66:8ME705244----
TG 66:9TG 66:9ME705245----


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