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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
2-MethylbutyroylcarnitineCAR 4:0;2MeME809712----
3-Deazaadenosine-ME809714----
CotinineCotinineME809738----
CystamineCystamineME809741----
Dimethylguanidino valeric acid-ME809745----
Indole-3-propionic acid3-Indolepropionic acidME809754----
Isoleucine_LeucineLeucine/IsoleucineME809756----
IsovalerylcarnitineCAR 4:0;3MeME809757----
Methionine sulfoneMethionine sulfoneME809762----
N-AcetylglutamineN-AcetylglutamineME809763----
Glutamic acidGlutamic acidME809747-C00025--
GlycineGlycineME809749-C00037--
AlanineAlanineME809722-C00041--
LysineLysineME809760-C00047--
Aspartic acidAspartic acidME809728-C00049--
ArginineArginineME809726-C00062--
GlutamineGlutamineME809748-C00064--
SerineSerineME809774-C00065--
MethionineMethionineME809761-C00073--
OrnithineOrnithineME809766-C00077--
TryptophanTryptophanME809785-C00078--
PhenylalaninePhenylalanineME809767-C00079--
TyrosineTyrosineME809786-C00082--
beta-Alaninebeta-AlanineME809730-C00099--
CholineCholineME809735-C00114--
LeucineLeucineME809759-C00123--
HistidineHistidineME809751-C00135--
ProlineProlineME809770-C00148--
AsparagineAsparagineME809727-C00152--
HomocysteineHomocysteineME809752-C00155--
Acetoacetic acidAcetoacetic acidME809718-C00164--
ValineValineME809788-C00183--
ThreonineThreonineME809779-C00188--
AdenosineAdenosineME809721-C00212--
TaurineTaurineME809777-C00245--
RiboflavinRiboflavinME809773-C00255--
HomoserineHomoserineME809753-C00263--
UridineUridineME809787-C00299--
CreatineCreatineME809739-C00300--
PyridoxinePyridoxineME809772-C00314--
CarnitineCarnitineME809733-C00318--
CitrullineCitrullineME809736-C00327--
Gamma-Aminobutyric acidgamma-Aminobutyric acidME809746-C00334--
PhosphoethanolaminePhosphoethanolamineME809769-C00346--
ThiamineThiamineME809778-C00378--
CytosineCytosineME809744-C00380--
CarnosineCarnosineME809734-C00386--
HistamineHistamineME809750-C00388--
IsoleucineIsoleucineME809755-C00407--
5-Aminolevulinic acid5-Amino-levulinic acidME809716-C00430--
CytidineCytidineME809743-C00475--
NorepinephrineNorepinephrineME809765-C00547--
2'-DeoxyadenosineDeoxyadenosineME809710-C00559--
TrimethylamineTrimethylamineME809783-C00565--
Cyclic AMP3',5' cyclic AMPME809740-C00575--
PhosphocholineCholine phosphateME809768-C00588--
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME809715-C00671--
BetaineBetaineME809731-C00719--
SpermineSpermineME809776-C00750--
SerotoninSerotoninME809775-C00780--
2'-DeoxycytidineDeoxycytidineME809711-C00881--
Aminoadipic acidAminoadipic acidME809723-C00956--
Trimethylamine N-oxideTrimethylamine N-oxideME809784-C01104--
trans-hydroxyproline-ME809781-C01157--
AnserineAnserineME809725-C01262--
CysteamineCysteamineME809742-C01678--
Kynurenic acidKynurenic acidME809758-C01717--
ThyroxineThyroxineME809780-C01829--
AcetylcholineAcetylcholineME809720-C01996--
TriiodothyronineLiothyronineME809782-C02465--
AcetylcarnitineCAR 2:0ME809719-C02571--
ButyrylcarnitineCAR 4:0ME809732-C02862--
Asymmetric dimethylarginineDimethylarginineME809729-C03626--
NG-monomethyl-L-arginineTarginineME809764-C03884--
1-Methylhistamine1-MethylhistamineME809709-C05127--
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME809713-C05145--
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME809717-C05635--
ColchicineColchicineME809737-C07592--
AnandamideArachidonoyl-EAME809724-C11695--
PurinePurineME809771-C15587--


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
Adenosine triphosphateATPME809803-C00002--
Reduced nicotinamide Adenine DinucleotideNADHME809851-C00004--
Reduced nicotinamide adenine dinucleotide phosphat...NADPHME809852-C00005--
Nicotinamide adenine dinucleotide phosphateNADPME809841-C00006--
Adenosine diphosphateADPME809801-C00008--
PyrophosphatePyrophosphateME809850-C00013--
Uridine 5'-diphosphateUDPME809861-C00015--
Adenosine monophosphateAMPME809802-C00020--
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME809854-C00021--
Acetyl-CoAAcetyl-CoAME809800-C00024--
GlucoseGlucoseME809819-C00031--
OxaloacetateOxaloacetic acidME809843-C00036--
SuccinateSuccinic acidME809855-C00042--
GlutathioneGlutathioneME809822-C00051--
Flavin MononucleotideFMNME809815-C00061--
Thiamine pyrophosphateThiamine diphosphateME809857-C00068--
AscorbateVitamin CME809807-C00072--
PhosphoenolpyruvatePhosphoenolpyruvic acidME809847-C00074--
Malonyl-coenzyme AMalonyl-CoAME809835-C00083--
Fructose 6-phosphateFructose 6-phosphateME809817-C00085--
Glucose 6-phosphateGlucose 6-phosphateME809820-C00092--
UracilUracilME809859-C00106--
Anthranilate2-Aminobenzoic acidME809805-C00108--
BiotinBiotinME809808-C00120--
FumarateFumaric acidME809818-C00122--
Oxidized glutathioneOxidized glutathioneME809844-C00127--
3-Methyl-2-oxobutyrateKetoisovaleric acidME809797-C00141--
MalateD-Malic acidME809833-C00149--
NiacinamideNiacinamideME809839-C00153--
CitrateCitric acidME809812-C00158--
LactateLactic acidME809831-C00186--
ThymidineThymidineME809858-C00214--
NicotinateNicotinic acidME809842-C00253--
PrephenatePrephenic acidME809848-C00254--
Erythrose 4-phosphateErythrose 4-phosphateME809814-C00279--
InosineInosineME809828-C00294--
IsocitrateIsocitric acidME809829-C00311--
KynurenineKynurenineME809830-C00328--
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME809816-C00354--
UrateUric acidME809860-C00366--
MalonateMalonic acidME809834-C00383--
cis-Aconitic acidcis-Aconitic acidME809810-C00417--
N-Carbamoyl-L-aspartateCarbamoylaspartateME809838-C00438--
SaccharopineSaccharopineME809853-C00449--
p-aminobenzoatep-Aminobenzoic acidME809845-C00568--
GuanidoacetateGuanidoacetic acidME809825-C00581--
3-Phosphoglycerate3-Phosphoglyceric acidME809798-C00597--
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME809824-C00661--
Nicotinamide adenine dinucleotideNADME809840-C00857--
2-Ketohexanoate-ME809794-C00902--
2-Aminoadipatealpha-Aminoadipic acidME809790-C00956--
3-Hydroxybutyrate3-Hydroxybutyric acidME809795-C01089--
Phenyllactic acidPhenyllactic acidME809846-C01479--
AllantoinAllantoinME809804-C01551--
XanthosineXanthosineME809863-C01762--
PyroglutamatePyroglutamic acidME809849-C01879--
MevalonateMevalonic acidME809836-C02104--
GlyceraldehydeGlyceraldehydeME809823-C02154--
CitraconateCitraconic acidME809811-C02226--
phosphocreatinePhosphocreatineME809789-C02305--
XanthurenateXanthurenic acidME809864-C02470--
2-Isopropylmalate2-Isopropylmalic acidME809793-C02504--
2-Hydroxyglutarate2-Hydroxyglutaric acidME809792-C02630--
3-UreidopropionateUreidopropionic acidME809799-C02642--
3-HydroxykynurenineHydroxykynurenineME809796-C03227--
ArginosuccinateArgininosuccinic acidME809806-C03406--
DeoxycholateDeoxycholic acidME809813-C04483--
TaurodeoxycholateTaurodeoxycholic acidME809856-C05463--
LactuloseLactuloseME809832-C07064--
HomocysteateHomocysteic acidME809826-C16511--
Cholesterol sulfateCholesterol sulfateME809809-C18043--
2-Hydroxy-2-methylbutyrate2-Hydroxy-2-methyl-butyric acidME809791----
GlutarylcarnitineCAR DC5:0ME809821----
Hydroxyisocaproate2-Hydroxyisocaproic acidME809827----
N-Acetyl-L-AlanineN-AcetylalanineME809837----
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME809862----


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