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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
2-hydroxyglutaric acid2-Hydroxyglutaric acidME64127243C02630506359129
alpha ketoglutaric acid2-Oxoglutaric acidME64128551C00026507734198
2-ketoisocaproic acidKetoleucineME64127370C00233310629200
hydrocinnamic acidHydrocinnamic acidME641338107C05629435417104
GABAgamma-Aminobutyric acidME641317119C00334488961174
5-aminovaleric acid5-Aminopentanoic acidME641280138C00431536304174
adipic acidAdipic acidME641283196C06104475399111
beta-alaninebeta-AlanineME641297239C00099431950248
benzoic acidBenzoic acidME641295243C00180338043179
benzylalcoholBenzyl alcoholME641296244C00556281322165
citric acidCitric acidME641303311C00158617288273
3-hydroxybutanoic acid3-Hydroxybutyric acidME641277441C05984278929191
sorbitolSorbitolME641390453C00794667682103
creatinineCreatinineME641305588C00791502434115
cysteineCysteineME641307594C00097501345220
cystineCystineME641308595C00491804143218
ethanolamineEthanolamineME641312700C00189345242174
glutaric acidGlutaric acidME641326743C00489422031158
glycineGlycineME641331750C00037368041174
glycerolGlycerolME641328753C00116344223205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME641330754C03189591357299
glycolic acidGlycolic acidME641332757C00160227487177
guanineGuanineME641334764C00242744497352
hydroxylamineHydroxylamineME641340787C00192255313146
indole-3-acetateIndoleacetic acidME641342802C00954685195202
arabitolArabitolME641288827C01904566749103
methionine sulfoxideMethionine sulfoxideME641364847C02989637775128
lanosterolLanosterolME641351856C017241128745109
inositol myo-Myo-inositolME641345892C00137729867305
naphtaleneNaphthaleneME641368931C00829315496128
elaidic acidElaidic acidME641310965C01712780799339
orotic acidOrotic acidME641374967C00295584723254
palmitic acidPalmitic acidME641377985C00249713542313
phosphoric acidPhosphoric acidME6413821004C00009344674299
putrescinePutrescineME6413841045C00134587728174
pyruvatePyruvic acidME6413851060C00022211146174
spermidineSpermidineME6413911102C00315792258144
succinic acidSuccinic acidME6413931110C00042370518147
taurineTaurineME6413951123C00245557250326
uracilUracilME6414041174C0010638590399
uric acidUric acidME6414061175C00366731185441
ureaUreaME6414051176C00086328046171
xanthineXanthineME6414091188C00385702391353
acetohydroxamic acidAcetohydroxamic acidME6412811990C06808222307190
3-phenyllactic acidPhenyllactic acidME6412793848C05607516416193
lauric acidLauric acidME6413523893C02679547810117
isolinoleic acid NIST-ME6413483931-79462995
stearic acidStearic acidME6413925281C01530787358117
tyramineTyramineME6414025610C00483664065174
riboseRiboseME6413875779C00121553411307
glucoseGlucoseME6413225793C00031649920160
alanineAlanineME6412845950C00041243537116
serineSerineME6413885951C00065394656204
aspartic acidAspartic acidME6412935960C00049480543232
glutamineGlutamineME6413255961C00064600452156
lysineLysineME6413585962C00047663088156
fructoseFructoseME6413135984C00095638631307
sucroseSucroseME6413945988C00089915457271
cholesterolCholesterolME6413025997C001871077630129
inosineInosineME6413446021C00294897806217
uridineUridineME6414076029C00299856953258
galactoseGalactoseME6413186036C00124647787160
tyrosineTyrosineME6414036057C00082671085218
leucineLeucineME6413536106C00123345953158
methionineMethionineME6413636137C00073483425176
phenylalaninePhenylalanineME6413816140C00079537760218
ornithineOrnithineME6413736262C00077527822142
asparagineAsparagineME6412926267C00152553791116
valineValineME6414086287C00183313224144
threonineThreonineME6413986288C00188409403117
tryptophanTryptophanME6414016305C00078779834202
isoleucineIsoleucineME6413476306C00407358756158
arginine + ornithineArginineME6412916322C00062619420142
inositol-4-monophosphateInositol 4-phosphateME6413466349C03546845491318
guanosineGuanosineME6413356802C00387955097324
ribitolRibitolME6413866912C00474572822217
oxoprolineOxoprolineME6413757405C01879486399156
acetophenone NISTAcetophenoneME6412827410C07113238719105
trehaloseTrehaloseME6414007427C01083947837191
pelargonic acidPelargonic acidME6413798158C01601399163117
behenic acidBehenic acidME6412948215C08281919675117
octadecanolStearyl alcoholME6413718221D01924755073327
shikimic acidShikimic acidME6413898742C00493610984204
citrullineCitrullineME6413049750C00327622791256
heptadecanoic acidMargaric acidME64133610465-750645117
arachidic acidArachidic acidME64128910467C06425856203117
cerotic acidCerotic acidME64130110469-1032431117
gluconic acidGluconic acidME64132110690C00257693140333
maleimideMaleimideME64136110935C07272244928154
myristic acidMyristic acidME64136711005C06424634543285
lignoceric acidLignoceric acidME64135611197C08320977850117
2-hydroxybutanoic acid2-Hydroxybutyric acidME64127111266C05984258175131
nonadecanoic acidNonadecylic acidME64137012591C16535822744117
homoserineHomoserineME64133712647C00263444264128
methanolphosphateMethanolphosphateME64136213130-290941241
cyano-L-alanineCyanoalanineME64130613538C02512404014141
pentadecanoic acidPentadecylic acidME64138013849C16537674704132
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME64136614900-901207371
tocopherolalpha-TocopherolME64139914985C024771067178237
fucose 1 + rhamnose 2D-FucoseME64131419466C01018577861117
beta-sitosterolSitosterolME64129922012C017531129771129
glutamic acidGlutamic acidME64132433032C00025529370246
3-aminoisobutyric acid3-Aminoisobutanoic acidME64127664956C01205309799102
3-hydroxypropionic acidHydroxypropionic acidME64127868152C01013269975177
galacturonic acidGalacturonic acidME64131984740C00333670193160
gamma-tocopherolgamma-TocopherolME64132092729C024831026222223
indole-3-lactateIndolelactic acidME64134392904C02043764543202
lyxitolL-ArabitolME64135994154C00532575571217
fucose 2FucoseME64131594270C01019584612117
glucuronic acidGlucuronic acidME64132394715C00191666743333
aminomalonateAminomalonic acidME641286100714C00872455886218
1-monostearinMG 18:0/0:0/0:0ME641270107036D01947959625399
lactic acidLactic acidME641350107689C00186216442117
xyloseXyloseME641410135191C00181542808103
prolineProlineME641383145742C00148364232142
isothreonic acidD-Threonic acidME641349151152C01620489846292
threonic acidThreonic acidME641397151152C01620497167292
threitolThreitolME641396169019C16884467314217
beta-gentiobiosebeta-GentiobioseME641298219994C08240967919204
erythritolErythritolME641311222285C00503471274205
malateMalic acidME641360222656C00149462908233
dihydroabietic acidDihydroabietic acidME641309227277-849610239
glyceric acidGlyceric acidME641327439194C00258377001189
levanbioseLevanbioseME641354439555C01725938676217
arachidonic acidArachidonic acidME641290444899C0021983329291
fumaric acidFumaric acidME641316444972C00122390708245
palmitoleic acidPalmitoleic acidME641378445638C08362706298129
oleic acidOleic acidME641372445639C01712778858339
glycerol-3-galactoside NISTGalactosylglycerolME641329656504C05401803554204
caffeic acidCaffeic acidME6413001549111C01481748306219
levoglucosanGlucosanME6413552724705-569799204
glycyl prolineGly-ProME6413333013625-692401174
2-monopalmitinMG 0:0/16:0/0:0ME6412743084463-889972218
palatinosePalatinoseME6413764177368C01742976650217
linoleic acidLinoleic acidME6413575280450C01595777102337
icosenoic acidcis-Gondoic acidME6413415282768-848697129
N-methylalanineN-MethylalanineME6413695288725C02721286258130
1-monooleinMG 18:1(9Z)/0:0/0:0ME6412695319879-952993129
arabinoseArabinoseME6412877044039C00216546892217
hydroxycarbamate NISTHydroxycarbamic acidME64133916639161-325357278
2-monostearin NIST-ME641275--948845218
monomyristin NISTMG 14:0ME641365--838323343


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