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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
GTPGTPME576034----
CTPCTPME576035----
UTPUTPME576036----
Fructose-1 6-bisphosphateFructose 1,6-bisphosphateME576037----
Thiamine pyrophosphateThiamine diphosphateME576038----
ATPATPME576039----
Glutathione disulfideOxidized glutathioneME576040----
LysineLysineME576041----
NADP+NADP+ME576042----
Pyridoxamine 5-phosphatePyridoxamine 5'-phosphateME576043----
Trehalose-6-phosphateTrehalose 6-phosphateME576044----
5-Hydroxylysine5-HydroxylysineME576045----
ArginineArginineME576046----
OrnithineOrnithineME576047----
NADPHNADPHME576048----
Glucose-6-phosphateGlucose 6-phosphateME576049----
PhosphocholineCholine phosphateME576050----
ADPADPME576051----
L-arginino-succinateArgininosuccinic acidME576052----
GMPGMPME576053----
Nicotinamide ribotideNicotinamide ribotideME576054----
CMPCMPME576055----
Fructose-6-phosphateFructose 6-phosphateME576056----
S-adenosyl-L-methionineS-AdenosylmethionineME576057----
D-Glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME576058----
Aconitatetrans-Aconitic acidME576059----
UDP-D-GlucoseUDP-glucoseME576060----
CystathionineCystathionineME576061----
CDP-CholineCDP-cholineME576062----
UMPUMPME576063----
Xanthosine-5-phosphateXMPME576064----
NAD+NAD+ME576065----
ADP-D-GlucoseADP-glucoseME576066----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME576067----
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME576068----
5-Aminoimidazole-4-carboxamide ribonucleotide-ME576069----
Glycerol-3-phosphatesn-Glycero-3-phosphateME576070----
Coenzyme ACoenzyme AME576071----
Malonyl-CoAMalonyl-CoAME576072----
Succinyl-CoASuccinyl-CoAME576073----
Acetyl CoAAcetyl-CoAME576074----
CystineCystineME576075----
AMPAMPME576076----
N-carbomoyl-L-aspartate-ME576077----
Propionyl CoAPropionyl-CoAME576078----
NADHNADHME576079----
GlutathioneGlutathioneME576080----
AspartateAspartic acidME576081----
GlutamateGlutamic acidME576082----
N-AcetylaspartateN-Acetylaspartic acidME576083----
FADFADME576084----
Butyryl CoAButyryl-CoAME576085----
N-acetyl-glutamateN-Acetylglutamic acidME576086----
Glycerophosphocholinesn-Glycero-3-phosphocholineME576087----
AcetyllysineN(2)-AcetyllysineME576088----
Itaconic acidItaconic acidME576089----
N-acetyl-L-ornithineN-AcetylornithineME576090----
4-Aminobutyrategamma-Aminobutyric acidME576091----
AsparagineAsparagineME576092----
HomocitrullineHomocitrullineME576093----
SerineSerineME576094----
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME576095----
GlutamineGlutamineME576096----
HistidineHistidineME576097----
Acetyl-arginineN-AcetylarginineME576098----
CarnitineCarnitineME576099----
ThreonineThreonineME576100----
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME576101----
AlanineAlanineME576102----
ThiamineThiamineME576103----
ProlineProlineME576104----
N-AcetylputrescineN-AcetylputrescineME576105----
Pipecolic acidPipecolic acidME576106----
DimethylglycineDimethylglycineME576107----
PyridoxaminePyridoxamineME576108----
MethylnicotinamideMethyl nicotinamideME576109----
ValineValineME576110----
TyrosineTyrosineME576111----
XanthosineXanthosineME576112----
BetaineBetaineME576113----
1-Methylimidazole acetic acid-ME576114----
HomocysteineHomocysteineME576115----
Urocanic acidUrocanic acidME576116----
Cyclic AMP3',5' cyclic AMPME576117----
MethionineMethionineME576118----
PantothenatePantothenic acidME576119----
IsoleucineIsoleucineME576120----
Acetyl proline-ME576121----
LeucineLeucineME576122----
PterinPterinME576123----
PhenylalaninePhenylalanineME576124----
GuanineGuanineME576125----
TryptophanTryptophanME576126----
NicotinateNicotinic acidME576127----
1 3-Dimethyluric acid-ME576128----
5-Aminoimidazole-4-carboxamide ribonucleoside (AIC...-ME576129----
N-AcetyltyrosineN-AcetyltyrosineME576130----
DeoxyinosineDeoxyinosineME576131----
Hydroxyindoleacetic acidHydroxyindoleacetic acidME576132----
5-Methylcytosine5-MethylcytosineME576133----
CreatinineCreatinineME576134----
HypoxanthineHypoxanthineME576135----
Acetyl-MethionineN-AcetylmethionineME576136----
UridineUridineME576137----
Hydroxyphenyllactic acidHydroxyphenyllactic acidME576138----
AdenosineAdenosineME576139----
Hydroxymandelic acidHydroxymandelic acidME576140----
AdenineAdenineME576141----
Phenylethanolamine2-HydroxyphenethylamineME576142----
TryptamineTryptamineME576143----
Leucic acidLeucinic acidME576144----
Acetyl-PhenylalanineN-AcetylphenylalanineME576145----
2 2-dimethylsuccinic acid-ME576146----
UracilUracilME576147----
Mandelic acidMandelic acidME576148----
HydroquinoneHydroquinoneME576149----
PhenylacetylglycinePhenylacetylglycineME576150----
DeoxyadenosineDeoxyadenosineME576151----
Phenyllactic acidPhenyllactic acidME576152----
ThymidineThymidineME576153----
5- Methylthioadenosine5'-MethylthioadenosineME576154----
3-Phenylbutyric acid3-Phenylbutyric acidME576155----
Dihydroxybenzeneacetic acidDihydroxybenzeneacetic acidME576156----
AndrostenedioneAndrostenedioneME576157----
11a-Hydroxyprogesterone11alpha-HydroxyprogesteroneME576158----
IndoleIndoleME576159----
TetrahydrocortisoneTetrahydrocortisoneME576160----
3-Cresotinic acid-ME576161----
SpermineSpermineME576162----
3-Phosphoglycerate3-Phosphoglyceric acidME576163----
3-PhosphoserinePhosphoserineME576164----
6-Phosphogluconate6-Phosphogluconic acidME576165----
CDPCDPME576166----
CitrullineCitrullineME576167----
CytosineCytosineME576168----
D-sedoheptulose-1 7-phosphateSedoheptulose 7-phosphateME576169----
Dihydroorotate4,5-Dihydroorotic acidME576170----
GDPGDPME576171----
GuanidinoacetateGuanidoacetic acidME576172----
IMPIMPME576173----
GuanosineGuanosineME576174----
InosineInosineME576175----
L-OctanoylcarnitineCAR 8:0ME576176----
L-PalmitoylcarnitineCAR 16:0ME576177----
Mannose-6-phosphateMannose 6-phosphateME576178----
N-acetyl-glutamineN-AcetylglutamineME576179----
O-ButanoylcarnitineCAR 4:0ME576180----
O-Decanoyl-L-carnitineCAR 10:0ME576181----
O-PropanoylcarnitineCAR 3:0ME576182----
PhosphoenolpyruvatePhosphoenolpyruvic acidME576183----
Ribulose-5-phosphateRibulose 5-phosphateME576184----
UDPUDPME576185----
Xylose-5-phosphate-ME576186----
PosIS_Alanine-2H4-15N-ME576187----
PosIS_Glutamine-2H5-15N2-ME576188----
PosIS_Inosine-15N4-ME576189----
PosIS_Lysine-2H8-ME576190----
PosIS_Serine-13C3-15N1-ME576191----


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
GTPGTPME576192----
CTPCTPME576193----
UTPUTPME576194----
Fructose-1 6-bisphosphateFructose 1,6-bisphosphateME576195----
Thiamine pyrophosphateThiamine diphosphateME576196----
ATPATPME576197----
Glutathione disulfideOxidized glutathioneME576198----
LysineLysineME576199----
NADP+NADP+ME576200----
Pyridoxamine 5-phosphatePyridoxamine 5'-phosphateME576201----
ArginineArginineME576202----
OrnithineOrnithineME576203----
NADPHNADPHME576204----
Glucose-6-phosphateGlucose 6-phosphateME576205----
ADPADPME576206----
L-arginino-succinateArgininosuccinic acidME576207----
IsocitrateIsocitric acidME576208----
GMPGMPME576209----
CMPCMPME576210----
Fructose-6-phosphateFructose 6-phosphateME576211----
Aconitatetrans-Aconitic acidME576212----
UDP-D-GlucoseUDP-glucoseME576213----
CystathionineCystathionineME576214----
UMPUMPME576215----
NAD+NAD+ME576216----
ADP-D-GlucoseADP-glucoseME576217----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME576218----
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME576219----
5-Aminoimidazole-4-carboxamide ribonucleotide-ME576220----
Glycerol-3-phosphatesn-Glycero-3-phosphateME576221----
AMPAMPME576222----
Deoxyribose phosphateDeoxyribose 5-phosphateME576223----
N-carbomoyl-L-aspartate-ME576224----
Tartaric acidTartaric acidME576225----
MalateMalic acidME576226----
Aminoadipic acidAminoadipic acidME576227----
Galacturonic acidGalacturonic acidME576228----
NADHNADHME576229----
GlutathioneGlutathioneME576230----
AspartateAspartic acidME576231----
GlutamateGlutamic acidME576232----
Malonic acidMalonic acidME576233----
2-Hydroxyglutarate2-Hydroxyglutaric acidME576234----
N-AcetylaspartateN-Acetylaspartic acidME576235----
FADFADME576236----
Glucuronic acidGlucuronic acidME576237----
SuccinateSuccinic acidME576238----
N-acetyl-glutamateN-Acetylglutamic acidME576239----
InositolInositolME576240----
Glycerophosphocholine (+HAc)sn-Glycero-3-phosphocholineME576241----
AcetyllysineN(2)-AcetyllysineME576242----
N-acetyl-L-ornithineN-AcetylornithineME576243----
FumarateFumaric acidME576244----
a-ketoglutarate2-Oxoglutaric acidME576245----
AsparagineAsparagineME576246----
SerineSerineME576247----
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME576248----
GlutamineGlutamineME576249----
HistidineHistidineME576250----
Methionine sulfoxideMethionine sulfoxideME576251----
Acetyl-arginineN-AcetylarginineME576252----
GlycineGlycineME576253----
ThreonineThreonineME576254----
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME576255----
AlanineAlanineME576256----
Threonic acidThreonic acidME576257----
Uric acidUric acidME576258----
GlucoseGlucoseME576259----
ThiamineThiamineME576260----
ProlineProlineME576261----
SorbitolSorbitolME576262----
Pipecolic acidPipecolic acidME576263----
PyridoxaminePyridoxamineME576264----
ValineValineME576265----
TyrosineTyrosineME576266----
GlycerateGlyceric acidME576267----
Acetyl glycineN-AcetylglycineME576268----
HomocysteineHomocysteineME576269----
MethionineMethionineME576270----
PantothenatePantothenic acidME576271----
IsoleucineIsoleucineME576272----
D-XyloseXyloseME576273----
XanthineXanthineME576274----
LactateLactic acidME576275----
N-Acetyl-L-alanineN-AcetylalanineME576276----
LeucineLeucineME576277----
PterinPterinME576278----
PhenylalaninePhenylalanineME576279----
GuanineGuanineME576280----
TryptophanTryptophanME576281----
AcetylcholineAcetylcholineME576282----
2-Hydroxybutyric acid2-Hydroxybutyric acidME576283----
NicotinateNicotinic acidME576284----
5-Methylcytosine5-MethylcytosineME576285----
CreatinineCreatinineME576286----
HypoxanthineHypoxanthineME576287----
Acetyl-MethionineN-AcetylmethionineME576288----
UridineUridineME576289----
Hydroxyphenyllactic acidHydroxyphenyllactic acidME576290----
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME576291----
PyruvatePyruvic acidME576292----
AdenineAdenineME576293----
Acetyl leucine-ME576294----
Phenylethanolamine2-HydroxyphenethylamineME576295----
1-Methyladenosine1-MethyladenosineME576296----
3 4-Dimethoxyphenylacetic acid-ME576297----
Hydroxy-methoxycinnamic acid-ME576298----
4-Hydroxy-3-methylbenzoic acid-ME576299----
PhenylacetylglycinePhenylacetylglycineME576300----
Leucic acidLeucinic acidME576301----
PhenylpropanolaminePhenylpropanolamineME576302----
Acetyl-PhenylalanineN-AcetylphenylalanineME576303----
UracilUracilME576304----
2-hydroxy pyridine2-HydroxypyridineME576305----
Phenyllactic acidPhenyllactic acidME576306----
Hydroxyoctanoic acidHydroxyoctanoic acidME576307----
Cresol-ME576308----
Hydroxyphenyl pyruvate-ME576309----
3-Phenylbutyric acid3-Phenylbutyric acidME576310----
Pyridoxic acidPyridoxic acidME576311----
2 3-dihydroxybenzoic acid-ME576312----
5- Methylthioadenosine5'-MethylthioadenosineME576313----
Methylphenyllactate-ME576314----
Phenyl-pyruvatePhenylpyruvic acidME576315----
Undecanoic acidUndecylic acidME576316----
6-Phosphogluconate6-Phosphogluconic acidME576317----
CDPCDPME576318----
Carbamoyl phosphateCarbamoylphosphateME576319----
CitrullineCitrullineME576320----
CytosineCytosineME576321----
Mannose-6-phosphateMannose 6-phosphateME576322----
N-acetyl-glutamineN-AcetylglutamineME576323----
OrotateOrotic acidME576324----
PhosphoenolpyruvatePhosphoenolpyruvic acidME576325----
ThymineThymineME576326----
UDPUDPME576327----
IMPIMPME576328----
Xylose-5-phosphate-ME576329----
Ribulose-5-phosphateRibulose 5-phosphateME576330----
3-PhosphoserinePhosphoserineME576331----
IDPIDPME576332----
Malonyl-CoAMalonyl-CoAME576333----
Succinyl-CoASuccinyl-CoAME576334----
Coenzyme ACoenzyme AME576335----
Acetyl CoAAcetyl-CoAME576336----
Propionyl CoAPropionyl-CoAME576337----
Butyryl CoAButyryl-CoAME576338----
Itaconic acidItaconic acidME576339----
NegIS_Alanine-2H4-15N-ME576340----
NegIS_Glucose-2H7-13C6-ME576341----
NegIS_Glutamine-2H5-15N2-ME576342----
NegIS_Glycine-13C2_15N1-ME576343----
NegIS_Inosine-15N4-ME576344----
NegIS_Lysine-2H8-ME576345----
NegIS_Malate-2H3-ME576346----
NegIS_Serine-13C3-15N1-ME576347----
NegIS_Thymine-2H4-ME576348----


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