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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-Methyluracil-ME774982----
2,3-Dihydroxybenzoate2-Pyrocatechuic acidME774983----
2,3-Diphosphoglycerate2,3-Diphosphoglyceric acidME775071----
2,6-Pyridinedicarboxylic acid2,6-Pyridinedicarboxylic acidME774984----
2-C-Methyl-D-erythritol 4-phosphate-ME774985----
2-Deoxy-D-ribose 5-phosphateDeoxyribose 5-phosphateME774986----
2-Deoxy-glucose_6-phosphate2-Deoxy-D-glucose 6-phosphateME775073----
2-Furoic acid2-Furoic acidME775177----
2-Hydroxyglutaric_Acid2-Hydroxyglutaric acidME775088----
2-Hydroxyhippuric acidSalicyluric acidME774987----
2-Hydroxyisovaleric acid2-Hydroxy-3-methylbutyric acidME774988----
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME774989----
2-Isopropylmalic acid2-Isopropylmalic acidME774990----
2-Methyl-3-Hydroxybutyric acid2-Methyl-3-hydroxybutyric acidME774992----
2-Methylbenzoic acid-ME774993----
2-Methyl citrate2-Methylcitric acidME774991----
2-Methylhippuric acid2-Methylhippuric acidME774994----
2-Oxobutyrate3-Methyl pyruvic acidME775099----
2-oxoglutarate2-Oxoglutaric acidME775097----
2-PhosphoglycolatePhosphoglycolic acidME774995----
2-Picolinic acidPicolinic acidME775156----
2-Succinyl Cysteine-ME775158----
3,4-Dihydroxymandelic acid3,4-Dihydroxymandelic acidME774996----
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME774997----
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME774998----
3-Indoleacetic AcidIndoleacetic acidME775149----
3-Methyl-2-oxopentanoate3-Methyl-2-oxovaleric acidME775095----
3-Methyladipic acid3-Methyladipic acidME774999----
3-Methyl-L-His-ME775153----
3-Methylthiopropionate3-Methyl-thiopropionic acidME775094----
3-Phospho-D-glycerate + 2-Phospho-D-glycerate-ME775102----
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME775000----
4-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME775001----
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME775002----
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME775089----
4-Hydroxyprolinecis-4-HydroxyprolineME775184----
4-Methylbenzoic acid4-Methylbenzoic acidME775003----
4-Phospho-D-erythronate-ME775004----
5-Dehydroquinic acid3-DehydroquinateME775005----
5-Keto-gluconate-ME775006----
AcetoacetateAcetoacetic acidME775057----
Acetyl-glycineN-AcetylglycineME775007----
Adipic acidAdipic acidME775008----
ADPADPME775165----
ADP-riboseADP-riboseME775064----
Ala-AlaAla-AlaME775113----
Allatoin-ME775110----
alpha-HMB-ME775052----
AMPAMPME775164----
Ascorbic_acidVitamin CME775065----
Aspartic acidAspartic acidME775185----
Asp-Asp-GlyAsp-Asp-GlyME775009----
Asp-Asp-SerAsp-Asp-SerME775010----
Azelaic acidAzelaic acidME775011----
Benzoic acidBenzoic acidME775012----
beta-hydroxy-beta-methylbutyrate (HMB)-ME775051----
beta-Hydroxybutyrate3-Hydroxybutyric acidME775087----
beta-hydroxy-iso-butyrate-ME775050----
beta-Keto-iso-valeric acid-ME775054----
ButyrateButyric acidME775175----
Caproic acidCaproic acidME775020----
Carbamoyl-DL-aspartic_acid-ME775066----
cis-Aconitatecis-Aconitic acidME775055----
CiticolineCDP-cholineME775183----
Citraconic acidCitraconic acidME775178----
CitrateCitric acidME775167----
CMPCMPME775166----
Creatine_phosphatePhosphocreatineME775067----
cTMP-ME775173----
cyclic FMN-ME775013----
Cys-GlyCys-GlyME775117----
Cysteic_acidCysteic acidME775069----
CystineCystineME775116----
D-4'-Phosphopantothenate(R)-4'-Phosphopantothenic acidME775179----
DeoxyuridineDeoxyuridineME775014----
dGDPdGDPME775170----
D-GlucarateGlucaric acidME775015----
D-Glucopyranuronate-ME775016----
D-(+)-GlucosamineGlucosamineME775123----
D-Glucosamine 1-phosphateGlucosamine 1-phosphateME775169----
D-GlucoseGlucoseME775086----
D-GlucuronateGlucuronic acidME775084----
D-Glyceric_acidGlyceric acidME775082----
dGMPdGMPME775168----
Dihydroorotate4,5-Dihydroorotic acidME775072----
DihydrooroticacidDihydroorotic acidME775017----
DihydrouracilDihydrouracilME775118----
Dimethylallyl pyrophosphate-ME775180----
DL-Glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME775083----
DL-Homocysteic acidHomocysteic acidME775148----
Enanthic acidHeptylic acidME775021----
ErgothioneineErgothioneineME775119----
Erythose-ME775018----
Ethanolamine PhosphatePhosphoethanolamineME775074----
Ferulic acidtrans-Ferulic acidME775019----
Formyl-L-methionineN-FormylmethionineME775022----
Fructose1,6-diphosphateFructose 1,6-bisphosphateME775077----
Fructose-6-PhosphateFructose 6-phosphateME775076----
FumarateFumaric acidME775075----
Galactose-1-PhosphateGalactose 1-phosphateME775078----
gamma-Ala-Lys-ME775114----
gamma-Glu-Abu-ME775128----
gamma-Glu-Alagamma-GlutamylalanineME775129----
gamma-Glu-Arg-ME775141----
gamma-Glu-Citrulline-ME775142----
gamma-Glu-Cysgamma-GlutamylcysteineME775023----
gamma-Glu-Glngamma-GlutamylglutamineME775136----
gamma-Glu-Glugamma-Glutamylglutamic acidME775145----
gamma-Glu-Glygamma-GlutamylglycineME775130----
gamma-Glu-Hisgamma-GlutamylhistidineME775139----
gamma-Glu-homoCys-ME775124----
gamma-Glu-homoCys-Gly-ME775125----
gamma-Glu-Leugamma-GlutamylleucineME775135----
gamma-Glu-Lys-ME775137----
gamma-Glu-Metgamma-GlutamylmethionineME775138----
gamma-Glu-Phegamma-GlutamylphenylalanineME775140----
gamma-Glu-Sergamma-Glu-SerME775131----
gamma-Glu-Taurine5-L-Glutamyl-taurineME775134----
gamma-Glu-Thrgamma-GlutamylthreonineME775133----
gamma-Glu-Trp-ME775144----
gamma-Glu-Tyrgamma-GlutamyltyrosineME775143----
gamma-Glu-Valgamma-GlutamylvalineME775132----
GDP-D-mannose-ME775085----
Gentisic acidGentisic acidME775024----
Glu-AspGlu-AspME775025----
Glucose-1-PhosphateGlucose 1-phosphateME775080----
Glucose-6-PhosphateGlucose 6-phosphateME775081----
Glutaconic acidGlutaconic acidME775026----
Glutamic acidGlutamic acidME775120----
Glutaric acidGlutaric acidME775027----
Glutathione_oxidized formOxidized glutathioneME775122----
Glutathione, reducedGlutathioneME775121----
glyceraldehyde 3-phosphate/Dihidroxyacetophosphate-ME775070----
Glycerol 2-phosphatesn-Glycero-2-phosphateME775043----
Glycerol_3-phosphatesn-Glycero-3-phosphateME775079----
Gly-GlyGly-GlyME775126----
Gly-LeuGly-LeuME775127----
HomocystineHomocystineME775147----
Homovanillic acidHomovanillic acidME775028----
HypotaurineHypotaurineME775146----
Iso-citrateIsocitric acidME775171----
Isopentenyl pyrophosphateIsopentenyl-diphosphateME775181----
Itaconic acidItaconic acidME775172----
keto-isocaproic acid (4-Methyl-2-oxopentanoate)-ME775053----
Ketoleucine (3-Methyl-2-oxovaleric acid)-ME775029----
LactateLactic acidME775091----
LanthionineLanthionineME775150----
L-Ascorbic acid 2-sulfate-ME775030----
L-Cysteine_S-sulfateCysteine-S-sulfateME775068----
L-Cysteinesulfinic acid3-Sulfino-alanineME775115----
Leucinic acidLeucinic acidME775031----
Leu-Leu-TyrLeu-Leu-TyrME775151----
Levulinic acidLevulinic acidME775032----
L-Homocysteic acidHomocysteic acidME775033----
L-Threonic acidThreonic acidME775034----
MalateD-Malic acidME775092----
Maltitol/Lactitol-ME775035----
Mandelic acidMandelic acidME775036----
MES (IS)-ME775090----
Methionine SulfoxideMethionine sulfoxideME775154----
MevalonateMevalonic acidME775093----
N-Acetyl-a-D-glucosamine_1-phosphateGlucosamine 1-phosphateME775058----
N-AcetylaspartateN-Acetylaspartic acidME775062----
N-Acetyl-Asp-GluN-Acetyl-Asp-GluME775063----
N-Acetyl-D-glucosamine_6-phosphateN-Acetyl-glucosamine 6-phosphateME775059----
N-Acetyl-D-mannosamineN-Acetyl-mannosamineME775112----
N-Acetyl-L-glutamic_AcidN-Acetyl-mannosamineME775056----
N-Acetylneuraminic_acidN-Acetylneuraminic acidME775060----
Nicotinic_AcidNicotinic acidME775096----
N-Methyl-Arg-ME775152----
N-α-Acetyl-L-methionine_sulfoxide-ME775061----
O-Acetyl-L-serineO-AcetylserineME775111----
O-Phospho-L-serinePhosphoserineME775157----
Ophthalmic AcidOphthalmic acidME775155----
Orotic_acidOrotic acidME775098----
OrthophosphatePhosphoric acidME775037----
O-Succinyl-L-homoserineo-SuccinylhomoserineME775038----
Phenylpyruvic acidPhenylpyruvic acidME775039----
PhosphoenolpyruvatePhosphoenolpyruvic acidME775101----
PLP (pyridoxal-5'-phosphate)-ME775103----
p-Toluenesulfonic acid-ME775040----
Pyroglutamic acidPyroglutamic acidME775041----
PyrophosphatePyrophosphateME775176----
PyruvatePyruvic acidME775100----
QuinolinateQuinolinic acidME775104----
Ribose5-phosphate + Ribulose5-phosphate + D-Xylulo...-ME775105----
Sebacic acidSebacic acidME775042----
Sedoheptulose_7-phosphateSedoheptulose 7-phosphateME775107----
SuccinateSuccinic acidME775106----
Succinic anhydrideSuccinic anhydrideME775044----
SucroseSucroseME775182----
Tartaric acidTartaric acidME775045----
TaurineTaurineME775159----
Terephthalic acidTerephthalic acidME775046----
Thiosulfate-ME775108----
Thiotaurine-ME775160----
trans-2-Butenoic acidCrotonic acidME775047----
trans-AconiticacidAcetylcholineME775048----
TyrosolTyrosolME775049----
UDP-N-acetylgalactosamineUDP-N-acetylgalactosamineME775109----
UMPUMPME775174----
Uric_acidUric acidME775161----
Urocanic acidUrocanic acidME775162----
XanthineXanthineME775163----


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
2-Aminobutyric acid2-Aminobutyric acidME775200----
3-Aminobutyric acid3-Aminobutyric acidME775258----
3-Hydoxykynurenine-ME775243----
3-Indoleacetic acidIndoleacetic acidME775240----
4-Aminobutyric acid (GABA)4-Aminopentanoic acidME775212----
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME775241----
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME775249----
AcetylcarnitineCAR 2:0ME775229----
AdenineAdenineME775233----
AdenosineAdenosineME775227----
Adenylsuccinic acidAdenylsuccinic acidME775220----
AlanineAlanineME775234----
Anthranilate2-Aminobenzoic acidME775250----
ArginineArginineME775210----
Argininosuccinic acidArgininosuccinic acidME775203----
AsparagineAsparagineME775242----
Asymmetric dimethylarginineDimethylarginineME775211----
Biotin B7BiotinME775235----
CarnitineCarnitineME775209----
CarnosineCarnosineME775199----
CholineCholineME775201----
CitrullineCitrullineME775196----
CreatineCreatineME775188----
CreatinineCreatinineME775208----
CystathionineCystathionineME775192----
CysteineCysteineME775194----
CytidineCytidineME775217----
CytosineCytosineME775230----
DimethylglycineDimethylglycineME775193----
DopaDOPAME775216----
Flavin adenine dinucleotideFADME775236----
Folinic acidN5-Formyl-THFME775247----
Folitixorin-ME775246----
GlutamineGlutamineME775190----
GlycineGlycineME775191----
GuanosineGuanosineME775221----
Hippuric AcidHippuric acidME775256----
HistidineHistidineME775204----
HypoxanthineHypoxanthineME775231----
Indole-3-butyric acid3-Indolebutyric acidME775253----
Indole-3-propionic acid3-Indolepropionic acidME775251----
Indoxyl sulfateIndoxyl sulfateME775244----
InosineInosineME775215----
IsoleucineIsoleucineME775218----
Kynurenic acidKynurenic acidME775248----
KynurenineKynurenineME775223----
LeucineLeucineME775219----
L-Met (IS)MethionineME775197----
LysineLysineME775189----
MethionineMethionineME775214----
NiacinamideNiacinamideME775245----
OrnithineOrnithineME775186----
Pantothenic acidPantothenic acidME775225----
PhenylalaninePhenylalanineME775228----
Picolinic acidPicolinic acidME775259----
ProlineProlineME775198----
PutrescinePutrescineME775255----
Quinaldic acidQuinaldic acidME775252----
S-AdenosylhomocysteineS-AdenosylhomocysteineME775222----
S-AdenosylmethionineS-AdenosylmethionineME775207----
SerineSerineME775187----
SerotoninSerotoninME775238----
SpermineSpermineME775254----
Symmetric dimethylarginineSymmetric dimethylarginineME775205----
ThreonineThreonineME775195----
ThymidineThymidineME775224----
ThymineThymineME775213----
TryptophanTryptophanME775237----
TyrosineTyrosineME775226----
UracilUracilME775232----
UreaUreaME775257----
UridineUridineME775206----
ValineValineME775202----
Xanthurenic acidXanthurenic acidME775239----


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