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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-hexadecanolCetyl alcoholME0538002682C00823679338299
1-monooleinMG 18:1(9Z)/0:0/0:0ME0537995319879C01885951858129
2-aminoadipic acidAminoadipic acidME053798469C00956572700260
2-deoxyerythritol2-DeoxyerythritolME05379718302n/a354236117
2-hydroxyglutaric acid2-Hydroxyglutaric acidME00038443C02630506359129
2-ketoisocaproic acidKetoleucineME00039270C00233310629200
2-monooleinMG 0:0/18:1(9Z)/0:0ME0537945319879C02112942197129
2-monopalmitinMG 0:0/16:0/0:0ME0537933084463n/a889671218
3-phosphoglycerate3-Phosphoglyceric acidME000095724C00597611619299
5-aminovaleric acid5-Aminopentanoic acidME000445138C00431536304174
5b-cholestanolCoprostanolME0536786665-1082218215
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME014891439176C00170967673236
7-alpha-hydroxycholesterol7alpha-Hydroxy-cholesterolME053789107722C035941062766456
aconitic acidcis-Aconitic acidME053788643757C00417586608229
adenineAdenineME053787190C00147646737264
adenosineAdenosineME00009260961C00212917818236
adenosine-5-phosphateAMPME0536766083C000201039143169
adipic acidAdipic acidME000090196C06104475399111
alanineAlanineME0537845950C00041241959116
alpha ketoglutaric acidOxoglutaric acidME00008751C00026507734198
aminomalonic acidAminomalonic acidME053670100714C00872455266218
arachidic acidArachidic acidME05378310467C06425856486117
asparagineAsparagineME0537826267C00152554276116
asparagine dehydratedAsparagineME0537816267C00152476542100
aspartateAspartic acidME0537805960C00049432951160
aspartic acidAspartic acidME0536645960C00049478092232
behenic acidBehenic acidME0537798215C08281919542132
benzoic acidBenzoic acidME053778243C00180339299179
beta alaninebeta-AlanineME053777239C00099435138248
butane-2,3-diol2,3-ButanediolME053776262C03044204284117
capric acidCapric acidME0000792969C01571451122117
cellobiotolCellobiotolME001845160514-956355204
cholesterolCholesterolME0004505997C001871077630129
citric acidCitric acidME000077311C00158617288273
CMPCMPME0537736131C00055700264243
conduritol beta epoxideConduritol epoxideME053772119054n/a704220318
creatinineCreatinineME000398588C00791502434115
cysteineCysteineME053651594C00097499495220
cysteine-glycineCys-GlyME053770439498C01419715639220
cytidine-5'-diphosphateCDPME0536496132C00112861380217
cytidine-5-monophosphateCMPME0537696131C00055975265169
cytosinCytosineME053768597C00380488774254
elaidic acidElaidic acidME000397965C01712780799339
enolpyruvate NISTPhosphoenolpyruvic acidME0018481005C00074234457217
erythritolErythritolME000378222285C00503471274205
ethanolamineEthanolamineME053644700C00189344330174
fructoseFructoseME0537665984C00095638202307
fructose-1,6-bisphosphateFructose 1,6-bisphosphateME053764172313C05378937707315
fructose 1 phosphateFructose 1-phosphateME05376565246C01094800708387
fructose-6-phosphateFructose 6-phosphateME05376369507C00085805246315
fumarateFumaric acidME000070444972C00122390988245
GABAgamma-Aminobutyric acidME000405119C00334488961174
galactinol isomerGalactinolME00185311727586C012351048423204
galactose-6-phosphate_200536Galactose 6-phosphateME00006699058C01113828457387
galacturonic acidGalacturonic acidME05363684740C00333678170333
gamma glutamyl-valinegamma-GlutamylvalineME0537597015683-719509417
glucoheptuloseGlucoheptuloseME000065102926-828610331
glucoseGlucoseME0000635793C00031649920160
glucose-1-phosphateGlucose 1-phosphateME00006265533C11450594823217
glucose-6-phosphateGlucose 6-phosphateME0000615958C00092809066387
glutamic acidGlutamic acidME00006033032C00025529370246
glutamineGlutamineME0000595961C00064600452156
glyceric acidGlyceric acidME053755439194C00258373972189
glycerol-3-galactosideGalactosylglycerolME053754656504C05401805516204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME000057754C03189591357299
glycerol-beta-phosphatesn-Glycero-2-phosphateME0537522526C02979574994243
glycineGlycineME000055750C00037368041174
glycolic acidGlycolic acidME000054757C00160227487177
guanineGuanineME000444764C00242744497352
guanosineGuanosineME0537486802C00387955831324
heptadecanoic acidMargaric acidME00038310465-750645117
histidineHistidineME0537476274C00135663638154
homoserineHomoserineME05361812647C00263444244218
hydroxycarbamate NIST-ME00043916639161-325357278
hydroxylamineHydroxylamineME053746787C00192254242146
hypoxanthineHypoxanthineME053745790C00262619020265
idonic acid NIST-ME001856193325-698217333
inosineInosineME0537446021C00294897806230
inosine 5'-monophosphateIMPME0537438582C001301017326315
inositol-4-monophosphateInositol 4-phosphateME0000516349C03546845491318
inositol myo-Myo-inositolME000052892C00137729867305
isocitric acidIsocitric acidME0018591198C00451616685245
isoleucineIsoleucineME0000496306C00407358756158
isothreonic acidD-Threonic acidME000375151152C01620489846292
lactamideLactamideME05360494220-265523232
lactic acidLactic acidME053738107689C00186215600191
lauric acidLauric acidME0537373893C02679548310117
leucineLeucineME0536006106C00123345709158
levoglucosanGlucosanME0003722724705-569799204
lysineLysineME0537365962C00047662525156
malateMalic acidME000040222656C00149462908233
maleimideMaleimideME00042310935C07272244928154
maltoseMaltoseME000039439186C00208946798361
maltotriose minorMaltotrioseME01488192146C018351177212204
methanolphosphateMethanolphosphateME05373213130-289507241
methionineMethionineME0535906137C00073482984176
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME00003514900-901207371
myristic acidMyristic acidME05373111005C06424634167285
N-acetylaspartic acidN-Acetylaspartic acidME05372965065C01042548166158
N-acetyl-D-mannosamineN-Acetyl-mannosamineME05373065150C00645723859205
N-acetylgalactosamineN-Acetyl-D-galactosamineME05372835717C01132721483205
nicotinamideNiacinamideME053727936C00153472223179
ononitolPinitolME053725230881-679899217
oxalic acidOxalic acidME053724971C00209260613147
oxoprolinePyroglutamic acidME0000307405C01879486399156
palmitic acidPalmitic acidME000029985C00249713542313
palmitoleic acidPalmitoleic acidME053575445638C08362706786129
pantothenic acidPantothenic acidME001869988C00864691214103
pelargonic acidPelargonic acidME0000288158C01601399163117
pentadecanoic acidPentadecylic acidME05372213849C16537674704117
phenylalaninePhenylalanineME0535716140C00079538016218
phenylethylaminePhenylethylamineME0537211001C05332512521174
prolineProlineME000023145742C00148364232142
putrescinePutrescineME0000221045C00134587728174
pyrazine 2,5-dihydroxy NIST-ME00187315532987-396061241
pyrophosphatePyrophosphateME053720644102C00013546635451
pyruvic acidPyruvic acidME0537191060C00022211947174
ribitolRibitolME0535586912C00474575953319
ribulose-5-phosphateRibulose 5-phosphateME015236439184C00199735613357
salicylic acidSalicylic acidME001877338C00805480445267
serineSerineME0537165951C00065394650204
sorbitolSorbitolME053715453C00794667287319
spermidineSpermidineME0000161102C00315792258144
stearic acidStearic acidME0000155281C01530787358117
stigmasterolStigmasterolME001878222284C054421110434159
succinic acidSuccinic acidME0537131110C00042370518247
sucroseSucroseME0000125988C00089915457271
taurineTaurineME0535431123C00245556913326
threonineThreonineME0537116288C00188408911117
thymidine-5-monophosphateTMPME05371012803287-608036170
thymineThymineME0535391135C00178420134255
tryptophanTryptophanME0000076305C00078779834202
tyrosineTyrosineME0535336057C00082670802218
UDP GlcNAcUDP-N-acetylglucosamineME053708445675C00043623732226
UDP-glucuronic acidUDP-glucuronic acidME05370717473C00167586393217
uracilUracilME0004491174C0010638590399
ureaUreaME0535311176C00086337230171
uridineUridineME0004476029C00299856953258
uridine-5'-monophosphateUMPME0537066030C00105979035352
valineValineME0000046287C00183313224144
xylulose NISTL-XyluloseME0018825289590C00310553050173


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