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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
ureaUreaME6519581176C00086329250100
creatine major dehydrated TMS3CreatineME651924--503755115
serine minorSerineME6519505951C00065339553116
arachidiic acidArachidic acidME651915--856790117
behenic acidBehenic acidME6519178215C08281920744117
heptadecanoic acidMargaric acidME65192710465-751505117
lauric acidLauric acidME6519293893C02679548858117
palmitic acidPalmitic acidME651940985C00249714386117
stearic acidStearic acidME6519535281C01530788356117
threonine minorThreonineME651956--361462117
cholesterolCholesterolME6519225997C001871077048129
palmitoleic acidPalmitoleic acidME651941445638C08362706886129
2-hydroxybutanoic acid2-Hydroxybutyric acidME65191111266C05984259826131
prolineProlineME651946145742C00148365741142
valineValineME6519596287C00183315026144
beta-hydroxybutyric acid3-Hydroxybutyric acidME651919441C01089280289147
oxalic acidOxalic acidME651938971C00209260471147
z dioctylphtalate-ME651960--891860149
maleimideMaleimideME65193221271766C07272244991154
lysineLysineME6519315962C00047665216156
oxoprolineOxoprolineME6519397405C01879486729156
isoleucineIsoleucineME6519286306C00407360577158
N-acetyl-L-aspartic acid 1N-Acetylaspartic acidME65193565065C01042548361158
trans-4-hydroxy-L-proline minor1trans-4-HydroxyprolineME651957--460442158
aspartate minorAspartic acidME651916--433670160
glutamic acid 2TMSGlutamic acidME651925--489269174
benzoic acidBenzoic acidME651918243C00180338781179
alpha-ketoglutarate2-Oxoglutaric acidME65191351C00026508594198
caprylic acidCaprylic acidME651920379C06423344270201
serineSerineME6519495951C00065396979204
shikimic acidShikimic acidME6519518742C00493613725204
glycerolGlycerolME651926753C00116346514205
pelargonic acidPelargonic acidME6519428158C01601399814215
ribitolRibitolME6519476912C00379577367217
aminomalonic acidAminomalonic acidME651914100714C00872457163218
threonineThreonineME6519556288C00188411756218
malic acidMalic acidME651933222656C00149464809233
alpha tocopherolalpha-TocopherolME65191214985C024771066947237
pinitolPinitolME651945230881-626923260
salicylic acidSalicylic acidME651948338C00805481513267
citric acidCitric acidME651923311C00158619803273
myristic acidMyristic acidME65193411005C06424634958285
pentadecanoic acidPentadecylic acidME65194313849C16537675295299
phosphatePhosphoric acidME6519441004C00009347293299
sorbitolSorbitolME651952453C00794667645319
octadecanolStearyl alcoholME6519368221D01924755925327
linoleic acidLinoleic acidME6519305280450C01595777348337
oleic acidOleic acidME651937445639C00712779249339
chlorogenic acid majorChlorogenic acidME651921--1052900345
1-monopalmitinMG 16:0/0:0/0:0ME6519093084463-902507371
1-monostearinMG 18:0/0:0/0:0ME651910107036-960911399
succinate semialdehyde meox1Succinic acid semialdehydeME651954--29428889


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