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Analysis: MS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-monopalmitinMG 16:0/0:0/0:0ME0534723084463-902507371
1-monostearinMG 18:0/0:0/0:0ME053473107036-960911399
2-hydroxybutanoic acid2-Hydroxybutyric acidME05347411266C05984259826131
alpha-ketoglutarateOxoglutaric acidME05347651C00026508594198
alpha tocopherolalpha-TocopherolME05347514985C024771066947237
aminomalonic acidAminomalonic acidME053477100714C00872457163218
arachidiic acid-ME053478--856790117
aspartate minorAspartic acidME053479--433670160
behenic acidBehenic acidME0534808215C08281920744117
benzoic acidBenzoic acidME053481243C00180338781179
beta-hydroxybutyric acid3-Hydroxybutyric acidME053482441C01089280289147
caprylic acidCaprylic acidME053483379C06423344270201
chlorogenic acid majorChlorogenic acidME053484--1052900345
cholesterolCholesterolME0534855997C001871077048129
citric acidCitric acidME053486311C00158619803273
creatine major dehydrated TMS3CreatineME053487--503755115
glutamic acid 2TMSGlutamic acidME053488--489269174
glycerolGlycerolME053489753C00116346514205
heptadecanoic acidMargaric acidME05349010465-751505117
isoleucineIsoleucineME0534916306C00407360577158
lauric acidLauric acidME0534923893C02679548858117
linoleic acidLinoleic acidME0534935280450C01595777348337
lysineLysineME0534945962C00047665216156
maleimideMaleimideME05349521271766C07272244991154
malic acidMalic acidME053496222656C00149464809233
myristic acidMyristic acidME05349711005C06424634958285
N-acetyl-L-aspartic acid 1N-Acetylaspartic acidME05349865065C01042548361158
octadecanolStearyl alcoholME0534998221D01924755925327
oleic acidOleic acidME053500445639C00712779249339
oxalic acidOxalic acidME053501971C00209260471147
oxoprolinePyroglutamic acidME0535027405C01879486729156
palmitic acidPalmitic acidME053503985C00249714386117
palmitoleic acidPalmitoleic acidME053504445638C08362706886129
pelargonic acidPelargonic acidME0535058158C01601399814215
pentadecanoic acidPentadecylic acidME05350613849C16537675295299
phosphatePhosphoric acidME0535071004C00009347293299
pinitolPinitolME053508230881-626923260
prolineProlineME053509145742C00148365741142
ribitolRibitolME0535106912C00379577367217
salicylic acidSalicylic acidME053511338C00805481513267
serineSerineME0535125951C00065396979204
serine minorSerineME0535135951C00065339553116
shikimic acidShikimic acidME0535148742C00493613725204
sorbitolSorbitolME053515453C00794667645319
stearic acidStearic acidME0535165281C01530788356117
succinate semialdehyde meox1Succinic acid semialdehydeME053517--29428889
threonineThreonineME0535186288C00188411756218
threonine minorThreonineME053519--361462117
trans-4-hydroxy-L-proline minor1trans-4-HydroxyprolineME053520--460442158
ureaUreaME0535211176C00086329250100
valineValineME0535226287C00183315026144
z dioctylphtalate-ME053523--891860149


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