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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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME283344--24.2-
1-Methylhistidine1-MethylhistidineME283329--104.2-
24-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME283321--26.7-
2-Deoxyguanosine 5-monophosphatedGMPME283353--189.3-
3-Methoxytyramine3-MethoxytyramineME283328--33.5-
3-Sulfinoalanine3-Sulfino-alanineME283322--131.7-
5-Hydroxylysine5-HydroxylysineME283326--142.8-
AcetylcarnitineCAR 2:0ME283341--68.3-
AcetylglycineN-AcetylglycineME283314--41.1-
Aminoadipic acidAminoadipic acidME283324--88.1-
AnserineAnserineME283350--98.2-
ArginineArginineME283332--109.4-
BenzylamineBenzylamineME283313--24.4-
CadaverineCadaverineME283312--79.3-
CarnitineCarnitineME283325--76.6-
CarnosineCarnosineME283348--103.7-
CinnamaldehydeCinnamaldehydeME283315--21.2-
CiticolineCDP-cholineME283355--289-
CitrullineCitrullineME283335--105.8-
CystathionineCystathionineME283346--196.2-
CystineCystineME283349--218.3-
Cytidine 23-cyclic phosphate2',3' cyclic CMPME283351--111.2-
Cytidine monophosphateCMPME283352--276.8-
GlucosamineGlucosamineME283337--95.2-
Glutamic acidGlutamic acidME283320--94.4-
Glycocholic acidGlycocholic acidME283354--52-
HistidineHistidineME283323--112.9-
Indoleacetic acidIndoleacetic acidME283334--44.2-
Kynurenic acidKynurenic acidME283340--57.3-
LysineLysineME283319--113-
Methyl jasmonateMethyl jasmonateME283347--31.3-
N6N6N6-Trimethyl-L-lysineN-6-TrimethyllysineME283339--103.8-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME283333--48.8-
N-AcetylleucineN-AcetylleucineME283331--35.5-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME283342--43.2-
N-Alpha-acetyllysineN(2)-AcetyllysineME283338--89.4-
OrnithineOrnithineME283316--119.5-
Pantothenic acidPantothenic acidME283345--50.4-
Phenylacetic acidPhenylacetic acidME283317--23.4-
PhosphocreatinePhosphocreatineME283343--123.9-
PyridoxalPyridoxalME283327--46.3-
Quinaldic acidQuinaldic acidME283330--40.4-
SerotoninSerotoninME283336--44.5-
SpermidineSpermidineME283318--107.7-


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
24-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME283371--49.2-
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME283376--39.6-
3-Phosphoglyceric acid3-Phosphoglyceric acidME283382--29.5-
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME283366--26.7-
AcetylglycineN-AcetylglycineME283360--33.1-
Adenosine 35-diphosphate-ME283399--29.2-
Adenosine triphosphateATPME283402--27.1-
Aminoadipic acidAminoadipic acidME283374--35.9-
Arachidic acidArachidic acidME283397--297.7-
BiliverdinBiliverdinME283403--54.9-
cis-4-Hydroxy-D-prolinecis-4-Hydroxy-D-prolineME283363--36.8-
CitrullineCitrullineME283379--35.8-
CystineCystineME283389--40.4-
Docosahexaenoic acidDocosahexaenoic acidME283398--227.9-
FucoseFucoseME283375--38.4-
Gamma-Linolenic acidgamma-Linolenic acidME283394--223.2-
Gluconic acidGluconic acidME283384--35.7-
Glucose 6-phosphateGlucose 6-phosphateME283392--42.5-
GlutamineGlutamineME283368--35.8-
Glyceric acidGlyceric acidME283358--36.1-
Glycocholic acidGlycocholic acidME283401--44.8-
GulonolactoneL-GulonolactoneME283380--31.4-
Heptadecanoic acidMargaric acidME283393--270.1-
Heptanoic acidHeptylic acidME283362--47.3-
Hippuric acidHippuric acidME283381--37.1-
HistidineHistidineME283372--36.8-
Homogentisic acidHomogentisic acidME283377--31-
HydroxykynurenineHydroxykynurenineME283386--37.7-
Hydroxypyruvic acidHydroxypyruvic acidME283356--20-
HypoxanthineHypoxanthineME283364--37.4-
IDPIDPME283400--35.3-
IndoleacetaldehydeIndoleacetaldehydeME283373--74.1-
Linoleic acidLinoleic acidME283395--239.2-
Mevalonic acidMevalonic acidME283369--29-
Myristic acidMyristic acidME283387--223.7-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME283378--35.1-
O-PhosphoethanolaminePhosphoethanolamineME283365--42.1-
Oxoglutaric acid2-Oxoglutaric acidME283367--35.3-
Palmitic acidPalmitic acidME283391--253.7-
Palmitoleic acidPalmitoleic acidME283390--232.5-
Pantothenic acidPantothenic acidME283385--35.5-
Pyrrolidonecarboxylic acidPyroglutamic acidME283361--35.9-
Quinic acidQuinic acidME283383--30.3-
RiboseRiboseME283370--36.6-
Ribose 5-phosphateRibose 5-phosphateME283388--34.3-
SerineSerineME283357--37.3-
Stearic acidStearic acidME283396--281.7-
UracilUracilME283359--28.8-


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