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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-Ketobutyric acid3-Methyl pyruvic acidME309847--77.5103.039
3-Sulfinoalanine3-Sulfino-alanineME309862--130.3154.0169
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME309857--26.1146.0924
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME309877--65.2221.0917
AcetylcarnitineCAR 2:0ME309873--53.6204.123
AdenineAdenineME309854--36.6136.0617
AdenosineAdenosineME309880--42.9268.1033
AllantoinAllantoinME309863--52.6159.0512
ArginineArginineME309868--129.4175.119
BilirubinBilirubinME309891--32585.2688
BiliverdinBiliverdinME309890--34.6583.2534
CarnitineCarnitineME309864--70.2162.1125
CarnosineCarnosineME309879--105.8227.1134
Cholic acidCholic acidME309889--31.2409.2969
CitrullineCitrullineME309870--103176.103
CortisolCortisolME309888--34.8363.2159
CreatinineCreatinineME309850--50.3114.0662
Cytidine 23-cyclic phosphate2',3' cyclic CMPME309885--95.7306.0483
DodecanoylcarnitineCAR 12:0ME309887--37.1344.279
Gamma-Linolenic acidgamma-Linolenic acidME309882--38.3279.2314
Glutamic acidGlutamic acidME309860--85.3148.0604
GlutamineGlutamineME309859--95.8147.0764
GlutathioneGlutathioneME309886--81.5308.0921
Guanidinosuccinic acidGuanidinosuccinic acidME309869--73.4176.0664
GuanosineGuanosineME309883--61.2284.0982
HypoxanthineHypoxanthineME309855--51.3137.0458
Indole-3-methyl acetateIndole-3-methyl acetateME309872--41.9190.0862
InosineInosineME309881--57.4269.0873
KynurenineKynurenineME309875--55.7209.0921
MethionineMethionineME309861--61.1150.0584
Methyl jasmonateMethyl jasmonateME309878--18.4225.1485
N-AcetylputrescineN-AcetylputrescineME309853--34131.118
N-Alpha-acetyllysineN(2)-AcetyllysineME309871--70.9189.1234
NiacinamideNiacinamideME309851--45.6123.0552
NicotineNicotineME309865--23.6163.123
Ophthalmic acidOphthalmic acidME309884--67.7290.136
Pantothenic acidPantothenic acidME309876--36.4220.1179
Phenylpyruvic acidPhenylpyruvic acidME309866--64.8165.0547
SerineSerineME309848--96.5106.0499
SpermidineSpermidineME309858--104146.1653
TaurineTaurineME309852--69.9126.022
ThyroxineThyroxineME309892--42.8777.6941
TrigonellineTrigonellineME309856--70.6138.055
TryptophanTryptophanME309874--53.8205.0971
UracilUracilME309849--49113.0346
Uric acidUric acidME309867--67169.0356


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME309909--25.3161.0456
3-Methoxytyrosine3-MethoxytyrosineME309923--24.1210.0772
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME309921--26.7190.0508
AcetylglycineN-AcetylglycineME309895--20.8116.0353
All-trans-retinoic acidRetinoic acidME309934--220299.2013
Aminoadipic acidAminoadipic acidME309908--19.8160.0615
Arachidic acidArachidic acidME309936--288.3311.2955
ArginineArginineME309913--35.2173.1044
BiliverdinBiliverdinME309939--68.8581.2399
Caffeic acidCaffeic acidME309918--21.2179.035
CitrullineCitrullineME309915--20.3174.0884
CreatinineCreatinineME309894--24.5112.0516
CystineCystineME309926--25.1239.0155
Docosahexaenoic acidDocosahexaenoic acidME309937--229.8327.233
Gamma-Linolenic acidgamma-Linolenic acidME309931--227.1277.2171
GlutamineGlutamineME309899--21.4145.0619
Glycocholic acidGlycocholic acidME309938--33.1464.3004
GulonolactoneL-GulonolactoneME309916--25.2177.0405
Heptadecanoic acidMargaric acidME309930--259.2269.2485
Hippuric acidHippuric acidME309917--22.5178.0509
HistidineHistidineME309905--25.8154.0623
HypoxanthineHypoxanthineME309896--22.4135.0303
IndoleacetaldehydeIndoleacetaldehydeME309906--54.3158.0612
Linoleic acidLinoleic acidME309932--239.5279.2327
LysineLysineME309900--37.8145.0983
MethionineMethionineME309903--23.5148.0438
Mevalonic acidMevalonic acidME309902--16.6147.0664
Myristic acidMyristic acidME309924--227.7227.2016
N-Acetylglutamic acidN-Acetylglutamic acidME309920--28188.0564
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME309914--23.4174.0407
N-Acetylneuraminic acidN-Acetylneuraminic acidME309935--19.4308.098
Oxoadipic acidOxoadipic acidME309907--15.3159.03
Oxoglutaric acid2-Oxoglutaric acidME309898--23145.0143
Palmitic acidPalmitic acidME309929--250255.2327
Palmitoleic acidPalmitoleic acidME309928--233.8253.2172
Phenylacetic acidPhenylacetic acidME309897--43.5135.0452
PhenylalaninePhenylalanineME309910--24.6164.0717
Quinaldic acidQuinaldic acidME309912--31.5172.0403
Ribose 5-phosphateRibose 5-phosphateME309925--18.6229.0119
SerineSerineME309893--22.1104.0353
Stearic acidStearic acidME309933--271.3283.2641
ThyroxineThyroxineME309940--62.9775.6824
trans-Cinnamic acidtrans-Cinnamic acidME309901--35.1147.0452
trans-Ferulic acidtrans-Ferulic acidME309922--18.8193.0509
TyrosineTyrosineME309919--23.5180.0667
Uric acidUric acidME309911--20.1167.0211
UridineUridineME309927--22.6243.0622
XanthineXanthineME309904--22.6151.0262


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