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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
1,5-anhydroglucitol1,5-AnhydrosorbitolME65241664960C07326633969217
1-monooleinMG 18:1(9Z)/0:0/0:0ME6524175319879-952623129
1-monopalmitinMG 16:0/0:0/0:0ME6524183084463C01885901749129
1-monostearinMG 18:0/0:0/0:0ME65241924699D01947959214129
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME65242013120901-384796292
2,3-dihydroxypyridine2,3-DihydroxypyridineME65242128115-373895240
2,4-diaminobutyric acid minor12,4-Diaminobutyric acidME652422134490C03283441621100
2-deoxytetronic acid3,4-Dihydroxybutyric acidME652423150929-433456189
2-hydroxybutanoic acid2-Hydroxybutyric acidME65242411266C05984259536131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME65242543C02630506306247
2-hydroxyvaleric acid2-Hydroxyvaleric acidME65242698009-309587131
2-ketoisocaproic acidKetoleucineME65242770C0023331076189
3-aminoisobutyric acid3-Aminoisobutanoic acidME65242864956C05145309837102
3-hydroxybutyric acid3-Hydroxybutyric acidME652429441C01089278829191
3-phosphoglycerate3-Phosphoglyceric acidME652430724C00597610734227
aconitic acidcis-Aconitic acidME652431643757C00417586815229
adenosine-5-monophosphateAMPME6524326083C000201038688169
alanineAlanineME6524335950C00041243971116
alloxanoic acid NISTAlloxanoic acidME65243494146-785329331
alpha-ketoglutarate2-Oxoglutaric acidME65243551C00026507392198
aminomalonateAminomalonic acidME652436100714C00872455754218
arachidonic acidArachidonic acidME652437444899C0021983711591
asparagineAsparagineME6524386267C00152553078188
aspartic acidAspartic acidME6524395960C00049480387232
azelaic acidAzelaic acidME6524402266C08261610651317
behenic acidBehenic acidME6524418215C08281920648117
benzoic acidBenzoic acidME652442243C00180339067179
beta-alaninebeta-AlanineME652443239C00099435564248
beta-sitosterolSitosterolME652444222284C017531128225129
butane-2,3-diol NIST2,3-ButanediolME652445262C03046205778117
capric acidCapric acidME6524462969C01571451790229
caprylic acidCaprylic acidME652447379C06423343457201
cholesterolCholesterolME6524485997C001871078536329
citric acidCitric acidME652449311C00158617342273
citrullineCitrullineME6524509750C00327621404157
conduritol-beta-epoxideConduritol epoxideME6524519989541-675635318
creatinineCreatinineME652452588C00791502599115
cysteineCysteineME652453594C00097500158220
cysteine-glycineCys-GlyME652454439498C01419715335220
cystineCystineME652455595C01420804619218
dodecanolDodecanolME6524568193C02277507619243
erythritolErythritolME652457222285C00503471922217
ethanolamineEthanolamineME652458700C00189343800174
fructoseFructoseME6524595984C02336641863307
fucose 1FucoseME652460439650C02095578299160
fumaric acidFumaric acidME652461444972C00122390775245
gluconic acidGluconic acidME65246210690C00800693148333
glucoseGlucoseME6524635793C00221659798319
glutamic acidGlutamic acidME65246433032C00025529100246
glutamineGlutamineME6524655961C00064600315156
glutaric acidGlutaric acidME652466743C00489421260261
glyceric acidGlyceric acidME652467439194C00258377495189
glycerolGlycerolME652468753C00116344466205
glycerol-3-galactosideGalactosylglycerolME65246916048618C05401805227204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME652470754C03189590747357
glycineGlycineME652471750C00037368707248
glycolic acidGlycolic acidME652472757C00160227636177
heptadecanoic acidMargaric acidME65247310465-751309117
hexitolSorbitolME652474453C00392704741217
hexuronic acidHexuronic acidME652475152867-667373160
hippuric acidHippuric acidME652476464C01586636836206
histidineHistidineME6524776274C00135663790154
hydroxycarbamate NISTHydroxycarbamic acidME65247816639161-325948278
hydroxylamineHydroxylamineME652479787C00192253158146
hypoxanthineHypoxanthineME652480790C00262619128265
indole-3-acetateIndoleacetic acidME652481802C00954684929202
indole-3-lactateIndolelactic acidME65248292904C02043764586202
isocitric acidIsocitric acidME6524831198C00451617338245
isoheptadecanoic acid NIST15-Methylpalmitic acidME652484164860-737927117
isoleucineIsoleucineME6524856306C00407359251158
isothreonic acid 1D-Threonic acidME6524865280363C00639489385292
lactamideLactamideME65248794220-265698232
lactic acidLactic acidME652488107689C01432217657191
lactuloseLactuloseME6524893278275C07064929908204
lauric acidLauric acidME6524903893C02679547906117
leucineLeucineME6524916106C00123345845158
levoglucosanGlucosanME6524922724705-569637204
linoleic acidLinoleic acidME6524935280450C01595777414150
lysineLysineME6524945962C00047663483156
lyxitolL-ArabitolME652495439255C00532573587217
maleimideMaleimideME65249610935C07272245118154
malic acidMalic acidME652497222656C00711463180233
maltose 1MaltoseME652498439186C00208946601204
mannitolMannitolME6524996251C00392663215319
mannoseMannoseME65250018950C00159645856205
methionineMethionineME6525016137C00073483560176
methionine sulfoxideMethionine sulfoxideME652502847C02989637588128
myo-inositolMyo-inositolME652503892C00137730022305
myristic acidMyristic acidME65250411005C06424634414117
N-acetyl-5-hydroxytryptamineN-AcetylserotoninME652505903C0097884613293
n-acetylglutamateN-Acetylglutamic acidME65250670914C00624477776158
N-acetylglycine NISTN-AcetylglycineME65250710972-356109174
N-acetylornithineN-AcetylornithineME652508439232C00437697086174
nicotinamideNiacinamideME652509936C00153469827179
nicotinic acidNicotinic acidME652510938C00253353934180
N-methylalanineN-MethylalanineME6525115288725C02721286855130
octadecanolStearyl alcoholME6525128221D01924755409327
oleic acidOleic acidME652513445639C00712779120339
ornithine 4tmsOrnithineME6525146262C00077619548142
oxalic acidOxalic acidME652515971C00209260513190
oxoprolineOxoprolineME6525167405C01879485935156
palmitic acidPalmitic acidME652517985C00249713809313
palmitoleic acidPalmitoleic acidME652518445638C08362706508117
parabanic acid NISTParabanic acidME65251967126C00802464991100
p-cresolP-CresolME6525202879C01468280360165
pelargonic acidPelargonic acidME6525218158C01601399229117
phenylalaninePhenylalanineME6525226140C00079537804218
phenylethylaminePhenylethylamineME6525231001C05332510327174
phosphatePhosphoric acidME6525241004C00009345365314
phosphoethanolaminePhosphoethanolamineME6525251015C00346604335299
pipecolinic acidPipecolic acidME652526849C00408404121156
piperidone2-PiperidinoneME65252712665-275603156
prolineProlineME652528145742C00148364716142
pseudo uridinePseudouridineME65252915047C02067813899217
pyrophosphatePyrophosphateME652530644102C00013327517110
pyruvic acidPyruvic acidME6525311060C00022213805174
quinic acidQuinic acidME6525326508C00296634900345
ribitolRibitolME6525336912C00474575497217
ribonic acidRibonic acidME6525345460677C01685599680292
riboseRiboseME6525355779C00121553135217
serineSerineME6525365951C00065395020218
shikimic acidShikimic acidME6525378742C00493611100204
sorbitolSorbitolME652538453C00794667922217
squaleneSqualeneME6525395280370C0075197623795
stearic acidStearic acidME6525405281C01530787622117
succinic acidSuccinic acidME6525411110C00042370608247
sucroseSucroseME6525425988C00089912704271
taurineTaurineME6525431123C00245556690326
threitolThreitolME652544169019C16884467595217
threonic acidThreonic acidME652545151152C01620497572292
threonineThreonineME6525466288C00188409568218
tocopherol alpha-alpha-TocopherolME652547638015C003761067809237
tocopherol gamma-gamma-TocopherolME65254892729C024831026121223
trans-4-hydroxyprolinetrans-4-HydroxyprolineME65254911137200C01157484934140
tryptophanTryptophanME6525506305C00078780482202
tyrosineTyrosineME6525516057C00082671252218
ureaUreaME6525521176C00086328888189
uric acidUric acidME6525531175C00366730691441
uridineUridineME6525546029C00299856709224
valineValineME6525556287C00183313502144
xylitolXylitolME6525566912C00379567437217
xyloseXyloseME652557135191C00181546699307
xylulose NISTXyluloseME6525585289590C00312553450173


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