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Analysis: GCMS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-monooleinMG 18:1(9Z)/0:0/0:0ME0003955319879-952993129
1-monostearinMG 18:0/0:0/0:0ME000096107036D01947959625399
2-hydroxybutanoic acid2-Hydroxybutyric acidME00040411266C05984258175131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME00038443C02630506359129
2-ketoisocaproic acidKetoleucineME00039270C00233310629200
2-monopalmitinMG 0:0/16:0/0:0ME0004003084463-889972218
2-monostearin NIST-ME000373--948845218
3-aminoisobutyric acid3-Amino-isobutanoic acidME00038964956C01205309799102
3-hydroxybutanoic acid3-Hydroxybutyric acidME000430441C05984278929191
3-hydroxypropionic acidHydroxypropionic acidME00040868152C01013269975177
3-phenyllactic acidPhenyllactic acidME0004103848C05607516416193
5-aminovaleric acid5-Aminopentanoic acidME000445138C00431536304174
acetohydroxamic acidAcetohydroxamic acidME0148901990C06808222307190
acetophenone NIST-ME0018377410C07113238719105
adipic acidAdipic acidME000090196C06104475399111
alanineAlanineME0000885950C00041243537116
alpha ketoglutaric acidOxoglutaric acidME00008751C00026507734198
aminomalonateAminomalonic acidME000393100714C00872455886218
arabinoseArabinoseME0000867044039C00216546892217
arabitolArabitolME000385827C01904566749103
arachidic acidArachidic acidME00041810467C06425856203117
arachidonic acidArachidonic acidME000427444899C0021983329291
arginine + ornithine-ME0000856322C00062619420142
asparagineAsparagineME0000836267C00152553791116
aspartic acidAspartic acidME0000825960C00049480543232
behenic acidBehenic acidME0003868215C08281919675117
benzoic acidBenzoic acidME000433243C00180338043179
benzylalcoholBenzyl alcoholME000412244C00556281322165
beta-alaninebeta-AlanineME000390239C00099431950248
beta-gentiobiosebeta-GentiobioseME000080219994C08240967919204
beta-sitosterolSitosterolME00041722012C017531129771129
caffeic acidCaffeic acidME0004261549111C01481748306219
cerotic acidCerotic acidME00041510469-1032431117
cholesterolCholesterolME0004505997C001871077630129
citric acidCitric acidME000077311C00158617288273
citrullineCitrullineME0000769750C00327622791256
creatinineCreatinineME000398588C00791502434115
cyano-L-alanine-ME00007513538C02512404014141
cysteineCysteineME000432594C00097501345220
cystineCystineME000422595C00491804143218
dihydroabietic acidDihydroabietic acidME000428227277-849610239
elaidic acidElaidic acidME000397965C01712780799339
erythritolErythritolME000378222285C00503471274205
ethanolamineEthanolamineME000406700C00189345242174
fructoseFructoseME0000725984C00095638631307
fucose 1 + rhamnose 2D-FucoseME00044119466C01018577861117
fucose 2FucoseME00044394270C01019584612117
fumaric acidFumaric acidME000436444972C00122390708245
GABAgamma-Aminobutyric acidME000405119C00334488961174
galactoseGalactoseME0004016036C00124647787160
galacturonic acidGalacturonic acidME00040384740C00333670193160
gamma-tocopherolgamma-TocopherolME00041692729C024831026222223
gluconic acidGluconic acidME00006410690C00257693140333
glucoseGlucoseME0000635793C00031649920160
glucuronic acidGlucuronic acidME00038194715C00191666743333
glutamic acidGlutamic acidME00006033032C00025529370246
glutamineGlutamineME0000595961C00064600452156
glutaric acidGlutaric acidME000429743C00489422031158
glyceric acidGlyceric acidME000058439194C00258377001189
glycerolGlycerolME000391753C00116344223205
glycerol-3-galactoside NIST-ME000374656504C05401803554204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME000057754C03189591357299
glycineGlycineME000055750C00037368041174
glycolic acidGlycolic acidME000054757C00160227487177
glycyl prolineGly-ProME0004353013625-692401174
guanineGuanineME000444764C00242744497352
guanosineGuanosineME0004406802C00387955097324
heptadecanoic acidMargaric acidME00038310465-750645117
homoserineHomoserineME00042112647C00263444264128
hydrocinnamic acidHydrocinnamic acidME000438107C05629435417104
hydroxycarbamate NIST-ME00043916639161-325357278
hydroxylamineHydroxylamineME000053787C00192255313146
icosenoic acidcs-Gondoic acidME0004145282768-848697129
indole-3-acetateIndoleacetic acidME000399802C00954685195202
indole-3-lactateIndolelactic acidME00042092904C02043764543202
inosineInosineME0004136021C00294897806217
inositol-4-monophosphateInositol 4-phosphateME0000516349C03546845491318
inositol myo-Myo-inositolME000052892C00137729867305
isoleucineIsoleucineME0000496306C00407358756158
isolinoleic acid NIST-ME0018613931-79462995
isothreonic acidD-Threonic acidME000375151152C01620489846292
lactic acidLactic acidME000047107689C00186216442117
lanosterolLanosterolME000425856C017241128745109
lauric acidLauric acidME0000453893C02679547810117
leucineLeucineME0000446106C00123345953158
levanbioseLevanbioseME000370439555C01725938676217
levoglucosanGlucosanME0003722724705-569799204
lignoceric acidLignoceric acidME00041111197C08320977850117
linoleic acidLinoleic acidME0000435280450C01595777102337
lysineLysineME0004425962C00047663088156
lyxitolL-ArabitolME00004194154C00532575571217
malateMalic acidME000040222656C00149462908233
maleimideMaleimideME00042310935C07272244928154
methanolphosphateMethanolphosphateME00045213130-290941241
methionineMethionineME0000366137C00073483425176
methionine sulfoxideMethionine sulfoxideME000407847C02989637775128
monomyristin NIST-ME000409--838323343
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME00003514900-901207371
myristic acidMyristic acidME00003411005C06424634543285
naphtaleneNaphthaleneME000446931C00829315496128
N-methylalanineN-MethylalanineME0004195288725C02721286258130
nonadecanoic acidNonadecylic acidME00038712591C16535822744117
octadecanolStearyl alcoholME0004248221D01924755073327
oleic acidOleic acidME000396445639C01712778858339
ornithineOrnithineME0000326262C00077527822142
orotic acidOrotic acidME000376967C00295584723254
oxoprolinePyroglutamic acidME0000307405C01879486399156
palatinosePalatinoseME0004024177368C01742976650217
palmitic acidPalmitic acidME000029985C00249713542313
palmitoleic acidPalmitoleic acidME000434445638C08362706298129
pelargonic acidPelargonic acidME0000288158C01601399163117
pentadecanoic acidPentadecylic acidME00038813849C16537674704132
phenylalaninePhenylalanineME0000276140C00079537760218
phosphoric acidPhosphoric acidME0000251004C00009344674299
prolineProlineME000023145742C00148364232142
putrescinePutrescineME0000221045C00134587728174
pyruvatePyruvic acidME0003711060C00022211146174
ribitolRibitolME0000196912C00474572822217
riboseRiboseME0004515779C00121553411307
serineSerineME0000185951C00065394656204
shikimic acidShikimic acidME0000178742C00493610984204
sorbitolSorbitolME000379453C00794667682103
spermidineSpermidineME0000161102C00315792258144
stearic acidStearic acidME0000155281C01530787358117
succinic acidSuccinic acidME0000131110C00042370518147
sucroseSucroseME0000125988C00089915457271
taurineTaurineME0004371123C00245557250326
threitolThreitolME000382169019C16884467314217
threonic acidD-Threonic acidME000011151152C01620497167292
threonineThreonineME0000106288C00188409403117
tocopherolalpha-TocopherolME00043114985C024771067178237
trehaloseTrehaloseME0000097427C01083947837191
tryptophanTryptophanME0000076305C00078779834202
tyramineTyramineME0000065610C00483664065174
tyrosineTyrosineME0000056057C00082671085218
uracilUracilME0004491174C0010638590399
ureaUreaME0003771176C00086328046171
uric acidUric acidME0003941175C00366731185441
uridineUridineME0004476029C00299856953258
valineValineME0000046287C00183313224144
xanthineXanthineME0004481188C00385702391353
xyloseXyloseME000001135191C00181542808103


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