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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 acidME283590--24.1217.1797
3-Methoxytyramine3-MethoxytyramineME283578--37.2168.1018
3-Methylhistamine3-MethylhistamineME283566--76.9126.1026
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME283569--32.7146.0924
AcetylcarnitineCAR 2:0ME283588--64.5204.123
AcetylglycineN-AcetylglycineME283564--38.6118.0499
Aminoadipic acidAminoadipic acidME283575--82.4162.076
AnilineAnilineME283562--47.494.0652
AnserineAnserineME283595--114.2241.1292
ArginineArginineME283581--103.9175.119
BetaineBetaineME283565--73.5118.0862
CarnitineCarnitineME283576--75.6162.1125
CarnosineCarnosineME283593--99.8227.1135
CinnamaldehydeCinnamaldehydeME283567--31.6133.0648
CitrullineCitrullineME283582--104.2176.103
CystineCystineME283594--214.5241.0307
Diaminopimelic acidDiaminopimelic acidME283586--213.5191.1029
Glutamic acidGlutamic acidME283572--92.3148.0603
GlutamineGlutamineME283570--97.8147.0764
GlutathioneGlutathioneME283596--90.5308.0919
Guanosine monophosphateGMPME283597--257.1364.0644
Hippuric acidHippuric acidME283583--33.3180.0656
HistamineHistamineME283563--88.2112.0869
HistidineHistidineME283573--108.9156.0768
KynurenineKynurenineME283589--54.7209.0916
LysineLysineME283571--105.7147.1128
Methyl jasmonateMethyl jasmonateME283592--33.5225.1484
N-AcetylleucineN-AcetylleucineME283580--35.7174.1125
N-Alpha-acetyllysineN(2)-AcetyllysineME283585--80.6189.1233
OrnithineOrnithineME283568--109.7133.0973
Pantothenic acidPantothenic acidME283591--45.3220.1182
PyridoxalPyridoxalME283577--40.3168.0655
Quinaldic acidQuinaldic acidME283579--25.7174.055
(R)-Salsolinol(R)-SalsolinolME283584--43.4180.1017
SelenomethionineSelenomethionineME283587--38.4198.0034
StachyoseStachyoseME283598--252667.227
TryptamineTryptamineME283574--41.5161.1073


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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME283610--64.4215.1652
2-Aminoisobutyric acidAminoisobutyric acidME283600--37.5102.056
4-Methylcatechol4-MethylcatecholME283603--52.9123.045
AcetylglycineN-AcetylglycineME283602--28.3116.0353
Adenosine 35-diphosphate-ME283622--33.1426.0211
All-trans-retinoic acidRetinoic acidME283619--210.7299.2008
Caffeic acidCaffeic acidME283609--34.6179.035
Cytidine monophosphateCMPME283620--35.5322.044
Docosahexaenoic acidDocosahexaenoic acidME283621--227327.2326
Gamma-Linolenic acidgamma-Linolenic acidME283616--220.8277.2169
Glucose 6-phosphateGlucose 6-phosphateME283614--36.5259.0223
Heptadecanoic acidMargaric acidME283615--260.8269.2485
IndoleacetaldehydeIndoleacetaldehydeME283606--74158.0612
Linoleic acidLinoleic acidME283617--239.5279.2329
LysineLysineME283605--47.2145.0983
Myristic acidMyristic acidME283611--227.2227.2013
N-AcetylasparagineN-AcetylasparagineME283608--34.8173.0568
O-PhosphoethanolaminePhosphoethanolamineME283604--46.8140.0117
Oxalic acidOxalic acidME283599--35.988.988
Palmitic acidPalmitic acidME283613--251.3255.2329
Palmitoleic acidPalmitoleic acidME283612--235.9253.2173
PyridoxalPyridoxalME283607--32.1166.0509
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME283601--21.6110.0247
Stearic acidStearic acidME283618--282.6283.2642


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