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


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