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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
parabanic acidParabanic acidME469921-67126-100
glycineGlycineME469966-750-102
arabitolArabitolME470012-94154-103
pyrophosphatePyrophosphateME469908-1023-110
adipic acidAdipic acidME470018-196-111
creatineCreatineME469994-586-115
alanineAlanineME470017-5950-116
2-deoxyerythritol2-DeoxyerythritolME470034-18302-117
3-deoxytetronic acid2,4-Dihydroxybutanoic acidME470024-192742-117
6-deoxyglucoseQuinovoseME470020-93579-117
arachidic acidArachidic acidME470011-10467-117
heptadecanoic acidMargaric acidME469962-10465-117
isoheptadecanoic acid15-Methylpalmitic acidME469949-164860-117
lauric acidLauric acidME469943-3893-117
methionine sulfoxideMethionine sulfoxideME469933-158980-128
beta sitosterolSitosterolME470005-222284-129
cholesterolCholesterolME469999-5997-129
2-aminobutyric acid2-Aminobutyric acidME470035-6657-130
2-hydroxybutanoic acid2-Hydroxybutyric acidME470032-440864-131
trans-4-hydroxyprolinetrans-4-HydroxyprolineME469891-5810-140
cyanoalanineCyanoalanineME469993-18647689-141
ornithineOrnithineME469925-6262-142
prolineProlineME469912-145742-142
valineValineME469883-6287-144
cerotinic acidCerotic acidME470000-10469-145
hydroxylamineHydroxylamineME469957-787-146
linoleic acidLinoleic acidME469940-5280450-150
phenolPhenolME469919-996-151
histidineHistidineME469960-6274-154
glutamineGlutamineME469972-5961-156
hydroxyproline dipeptide-ME469956-61159526-156
oxoprolineOxoprolineME469924-7405-156
pipecolinic acidPipecolic acidME469914-6931662-156
piperidone2-PiperidinoneME469913-12665-156
citrullineCitrullineME469996-9750-157
isoleucineIsoleucineME469948-6306-158
leucineLeucineME469942-6106-158
fucoseFucoseME469980-439650-160
p-cresolP-CresolME469920-2879-165
xyluloseXyluloseME469879-439205-173
ethanolamineEthanolamineME469982-700-174
lysineLysineME469939-5962-174
phenylethylaminePhenylethylamineME469917-1001-174
pyruvic acidPyruvic acidME469907-1060-174
serotoninSerotoninME469900-5202-174
methionineMethionineME469934-6137-176
glycolic acidGlycolic acidME469965-757-177
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME470027-10394-179
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME470021-127-179
benzoic acidBenzoic acidME470006-243-179
p-tolyl glucuronideP-Cresol glucuronideME469909-154035-180
naproxenNaproxenME469927-156391-185
asparagineAsparagineME470009-6267-188
2-deoxytetronic acid3,4-Dihydroxybutyric acidME470033-150929-189
glyceric acidGlyceric acidME469970---189
ureaUreaME469886-1176-189
3-hydroxybutyric acid3-Hydroxybutyric acidME470023-92135-191
lactic acidLactic acidME469945-612-191
dihydro-3-coumaric acid3-(3-Hydroxyphenyl)propanoic acidME469987-91-192
methyltetrahydrophenanthrenone-ME469932---197
alpha-ketoglutarate2-Oxoglutaric acidME470015-51-198
indole-3-acetateIndoleacetic acidME469954-802-202
indole-3-propionic acid3-Indolepropionic acidME469953-3744-202
tryptophanTryptophanME469890-6305-202
1-monostearinMG 18:0/0:0/0:0ME470038-24699-203
glycerol-3-galactosideGalactosylglycerolME469968-16048618-204
lactuloseLactuloseME469944-11333-204
levoglucosanGlucosanME469941-2724705-204
maltoseMaltoseME469937-439186-204
erythroseErythroseME469983-439574-205
glycerolGlycerolME469969-753-205
hippuric acidHippuric acidME469961-464-206
delta-tocopheroldelta-TocopherolME469989-92094-208
1,5-anhydroglucitol1,5-AnhydrosorbitolME470041-64960-217
enolpyruvatePhosphoenolpyruvic acidME469985-1005-217
glucose-1-phosphateGlucose 1-phosphateME469975-65533-217
pseudo uridinePseudouridineME469911-15047-217
riboseRiboseME469904-10975657-217
threitolThreitolME469895-169019-217
UDP-glucuronic acidUDP-glucuronic acidME469888-17473-217
xylitolXylitolME469881-6912-217
aminomalonateAminomalonic acidME470013-100714-218
cystineCystineME469990-595-218
kynurenineKynurenineME469946---218
phenylalaninePhenylalanineME469918-6140-218
serineSerineME469901-5951-218
threonineThreonineME469893-6288-218
tyrosineTyrosineME469889-6057-218
cysteineCysteineME469992-5862-220
cysteine-glycineCys-GlyME469991-439498-220
4-hydroxybenzoate4-Hydroxybenzoic acidME470022-135-223
beta-tocopherolbeta-tocopherolME470003-8989-223
gamma-tocopherolgamma-TocopherolME469977-92729-223
uridineUridineME469884-6029-224
aconitic acidcis-Aconitic acidME470019-643757-229
capric acidCapric acidME470002-2969-229
inosineInosineME469951-6021-230
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME470026-16069996-231
aspartic acidAspartic acidME470008-5960-232
malic acidMalic acidME469938-525-233
alpha-tocopherolalpha-TocopherolME470014-638015-237
hydroquinoneHydroquinoneME469959-785-239
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME470042-23368901-241
methanolphosphateMethanolphosphateME469935-13130-241
uracilUracilME469887-1174-241
fumaric acidFumaric acidME469979-444972-245
glutamic acidGlutamic acidME469973-33032-246
2-hydroxyglutaric acid2-Hydroxyglutaric acidME470031-43-247
erythronic acid lactoneErythrono-1,4-lactoneME469984-5325915-247
succinic acidSuccinic acidME469899-1110-247
3-aminoisobutyric acid3-Aminoisobutanoic acidME470025-64956-248
beta-alaninebeta-AlanineME470004-239-248
catecholPyrocatecholME470001-289-254
deoxycholic acidDeoxycholic acidME469988-222528-255
thymineThymineME469892-1135-255
allantoic acidAllantoic acidME470016---259
glutaric acidGlutaric acidME469971-743-261
hypoxanthineHypoxanthineME469955-790-265
3-(3-hydroxyphenyl)-3-hydroxypropionic acid3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME470028-102959-267
salicylic acidSalicylic acidME469902-338-267
sucroseSucroseME469898-5988-271
citric acidCitric acidME469997-311-273
indoxyl sulfateIndoxyl sulfateME469952-10258-277
hydroxycarbamateHydroxycarbamic acidME469958-16639161-278
myristic acidMyristic acidME469930-11005-285
2,8-dihydroxyquinolineQuinoline-2,8-diolME470036-97250-290
2,3-dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME470037-250402-292
galactonic acidGalactonic acidME469978-128869-292
isothreonic acidD-Threonic acidME469947-151152-292
ribonic acidRibonic acidME469905-5460677-292
tartaric acidTartaric acidME469896-444305-292
threonic acidThreonic acidME469894-5460407-292
1-hexadecanolCetyl alcoholME470040-2682-299
phosphoethanolaminePhosphoethanolamineME469915-1015-299
myo-inositolMyo-inositolME469931---305
fructoseFructoseME469981-439709-307
psicosePsicoseME469910---307
tagatoseD-TagatoseME469897-439312-307
xyloseXyloseME469880---307
palmitoleic acidPalmitoleic acidME469922-445638-311
palmitic acidPalmitic acidME469923-985-313
phosphatePhosphoric acidME469916-1004-314
inositol-4-monophosphateInositol 4-phosphateME469950-440043-315
azelaic acidAzelaic acidME470007-19347555-317
conduritol-beta-expoxideConduritol epoxideME469995-9989541-318
glucoseGlucoseME469976-64689-319
mannitolMannitolME469936-6251-319
n-acetyl-d-hexosamineN-AcetylhexosamineME469929-24139-319
N-acetylmannosamineN-Acetyl-mannosamineME469928-439281-319
guanosineGuanosineME469963-6802-324
octadecanolStearyl alcoholME469926-8221-327
guanidinosuccinateGuanidinosuccinic acidME469964-439918-328
glucuronic acidGlucuronic acidME469974-94715-333
saccharic acidGlucaric acidME469903-33037-333
quinic acidQuinic acidME469906-6508-345
xanthineXanthineME469882-1188-353
glycerol-alpha-phosphatesn-Glycero-3-phosphateME469967-754-357
cis-gondoic acidcis-Gondoic acidME469998-5282768-367
1-monopalmitinMG 16:0/0:0/0:0ME470039-14900-371
uric acidUric acidME469885-1175-441
2-ketobutyric acid3-Methyl pyruvic acidME470030-58-89
2-ketoisocaproic acidKetoleucineME470029-70-89
arachidonic acidArachidonic acidME470010-444899-91
docosahexaenoic acidDocosahexaenoic acidME469986-445580-91


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