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Analysis: GC/LC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3,5(10)-estratrien-3,6- beta-17-beta-triol6beta-Hydroxyestradiol-17betaME444371440168C03935-361.0873
1,5-anhydroglucitol1,5-AnhydrosorbitolME44437264960C07326-147.1344
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-1-ME444373440705No result-169.0164
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-2-ME444374440705No result-127.0625
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-3-ME444375440705No result-206.2346
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-4-ME444376440705No result-311.3389
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-5-ME444377440705No result-299.0779
17-alpha-20-alpha-dihydroxy-4-pregnen-3-one-6-ME444378440705No result-133.0235
1-hexadecanolCetyl alcoholME4443792682C00823-299.1362
1-hydroxyanthraquinone prod1-HydroxyanthraquinoneME4443808512C02980-355.0594
1-indanol-1Indan-1-olME44438122819C01710-97.11963
1-indanol-2Indan-1-olME44438222819C01710-97.11835
1-methylhydantoinN-MethylhydantoinME44438369217C02565-231.0998
1-monopalmitinMG 16:0/0:0/0:0ME44438414900No result-371.2692
1-monostearin-1-ME44438524699D01947-399.3092
1-monostearin-2MG 18:0/0:0/0:0ME44438624699D01947-85.1114
2,3-dimethylsuccinic acid-1-ME44438911848No result-292.1301
2,3-dimethylsuccinic acid-2-ME44439011848No result-71.11913
2,4-diaminobutyric acid-1-ME444391470No result-274.1382
2,4-diaminobutyric acid-22,4-Diaminobutyric acidME444392470No result-114.1674
2-(4-hydroxyphenyl)ethanol-1TyrosolME44438710393C06044-219.1093
2-(4-hydroxyphenyl)ethanol-2TyrosolME44438810393C06044-91.0582
2,6-diaminopimelic acid-1-ME44439353448507No result-148.9896
2,6-diaminopimelic acid-22,6-Diaminopimelic acidME44439453448507No result-148.99
2-amino-2-methyl-1,3-propandiol-ME4443951531C11260-201.1023
2'-deoxyadenosine-1-ME444396636No result-204.0851
2'-deoxyadenosine-2DeoxyadenosineME444397636No result-58.1321
2'-deoxyadenosine-3DeoxyadenosineME444398636No result-397.3153
2'-deoxyadenosine 5'-monophosphate-1-ME444399621No result-206.1453
2'-deoxyadenosine 5'-monophosphate-2dAMPME444400621No result-223.0452
2'-deoxycytidine 5'-triphosphate-1dCTPME44440165091C00458-208.092
2'-deoxycytidine 5'-triphosphate-2dCTPME44440265091C00458-91.05868
2'-deoxycytidine 5'-triphosphate-3dCTPME44440365091C00458-204.0644
2-deoxyerythritol-12-DeoxyerythritolME44440418302No result-158.2665
2-deoxyerythritol-22-DeoxyerythritolME44440518302No result-147.0362
2-deoxyerythritol-32-DeoxyerythritolME44440618302No result-205.0692
2-deoxyerythritol-42-DeoxyerythritolME44440718302No result-299.0238
2-deoxyerythritol-52-DeoxyerythritolME44440818302No result-132.9998
2-deoxytetronic acid-1-ME444409150929No result-235.1325
2-deoxytetronic acid-23,4-Dihydroxybutyric acidME444410150929No result-234.2534
2-hydroxyatrazin-1-ME44441116553C06552-155.9494
2-hydroxyatrazin-2-ME44441216553C06552-306.1254
2-hydroxybiphenyl-ME4444137017C02499-210.9732
2-hydroxybutanoic acid-12-Hydroxybutyric acidME444414440864C05984-147.0401
2-hydroxybutanoic acid-22-Hydroxybutyric acidME444415637540C01772-97.01109
2-hydroxybutanoic acid-32-Hydroxybutyric acidME444416637540C01772-135.0509
2-hydroxybutanoic acid-42-Hydroxybutyric acidME444417637540C01772-429.0733
2-isopropylmalic acid2-Isopropylmalic acidME44441836No result-115.0451
2-ketobutyric acid3-Methyl pyruvic acidME44441958C00109-67.04149
2-ketoisocaproic acid-1KetoleucineME44442070C00233-216.0962
2-ketoisocaproic acid-2KetoleucineME44442170C00233-200.0941
2-ketovaleric acid2-Oxovaleric acidME44442274563C06255-202.084
2-mercaptoethanesulfonic acid-ME444423598C03576-210.1091
2-methylglutaric acid2-Methylglutaric acidME44442412046No result-278.1137
2-monopalmitinMG 0:0/16:0/0:0ME444425123409No result-129.0543
2-picolinic acid-1Picolinic acidME4444261018C10164-129.0599
2-picolinic acid-2Picolinic acidME4444271018C10164-221.0508
3,4-dihydroxymandelic acid3,4-Dihydroxymandelic acidME44442885782C05580-160.0551
3,5-dihydroxyphenylglycine-ME444429108001No result-204.0566
3-aminoisobutyric acid3-Aminoisobutanoic acidME44443025201103C05145-174.0789
3-aminopropionitrile-ME4444311647C05670-240.0788
3-beta-5-alpha-6-beta-trihydroxycholestan-1-ME444432537036No result-227.0248
3-beta-5-alpha-6-beta-trihydroxycholestan-2-ME444433537036No result-227.0536
3-beta-5-alpha-6-beta-trihydroxycholestan-3-ME444434537036No result-255.1527
3-beta-5-alpha-6-beta-trihydroxycholestan-4-ME444435537036No result-206.1205
3-hydroxybenzyl alcohol3-Hydroxybenzyl alcoholME444436102C03351-71.07766
3-hydroxyflavone-ME44443711349C01495-118.061
3-hydroxynorvaline3-HydroxynorvalineME44443825202492No result-215.138
3-hydroxypalmitic acid-13R-Hydroxypalmitic acidME44443992836No result-232.0865
3-hydroxypalmitic acid-23R-Hydroxypalmitic acidME44444092836No result-300.0849
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME44444112122C05593-105.0765
3-hydroxypropionic acid-1Hydroxypropionic acidME44444268152C01013-218.0848
3-hydroxypropionic acid-2Hydroxypropionic acidME44444368152C01013-174.0729
3-hydroxypropionic acid dimer 1-ME444444338576No result-218.812
3-hydroxypyridine3-HydroxypyridineME4444457971No result-71.9285
3-methylamino-1,2-propandiol-ME4444462734122No result-392.0724
3-methylbenzylalcohol-1-ME44444711476C07216-146.1442
3-methylbenzylalcohol-2-ME44444811476C07216-171.1521
3-methylbenzylalcohol-3-ME44444911476C07216-318.0664
3-methylbenzylalcohol-4-ME44445011476C07216-53.04724
3-methyloxyindole3-MethyloxindoleME444451150923C02366-91.05432
3-ureidopropionateUreidopropionic acidME444452111C02642-231.0815
4',5-dihydroxy-7-methoxyisoflavone-1-ME4444535281804C10521-112.9747
4',5-dihydroxy-7-methoxyisoflavone-2-ME4444545281804C10521-126.13
4',5-dihydroxy-7-methoxyisoflavone-3-ME4444555281804C10521-368.3074
4',5-dihydroxy-7-methoxyisoflavone-4-ME4444565281804C10521-206.9885
4',7-dihydroxyflavanone-1-ME4444571889No result-288.1036
4',7-dihydroxyflavanone-2-ME4444581889No result-131.0495
4',7-dihydroxyflavanone-3-ME4444591889No result-179.0667
4-aminobenzoic acidp-Aminobenzoic acidME4444607057990C00568-77.04791
4-androsten-11-beta-ol-3,17-dione-111beta-Hydroxyandrost-4-ene-3,17-dioneME44446194141C05284-227.0092
4-androsten-11-beta-ol-3,17-dione-211beta-Hydroxyandrost-4-ene-3,17-dioneME44446294141C05284-223.1082
4-androsten-11-beta-ol-3,17-dione-311beta-Hydroxyandrost-4-ene-3,17-dioneME44446394141C05284-227.037
4-androsten-11-beta-ol-3,17-dione-411beta-Hydroxyandrost-4-ene-3,17-dioneME44446494141C05284-154.0943
4-androsten-11-beta-ol-3,17-dione-511beta-Hydroxyandrost-4-ene-3,17-dioneME44446594141C05284-129.0609
4-androsten-11-beta-ol-3,17-dione-611beta-Hydroxyandrost-4-ene-3,17-dioneME44446694141C05284-243.0642
4-androsten-11-beta-ol-3,17-dione-711beta-Hydroxyandrost-4-ene-3,17-dioneME44446794141C05284-129.0501
4-androsten-19-ol-3,17-dione-1-ME444468252379C05290-210.1026
4-androsten-19-ol-3,17-dione-2-ME444469252379C05290-474.3669
4-androsten-19-ol-3,17-dione-3-ME444470252379C05290-474.3176
4-androsten-19-ol-3,17-dione-4-ME444471252379C05290-361.1391
4-cholesten-3-one-1-ME444472440No result-177.037
4-cholesten-3-one-2CholestenoneME444473440No result-133.0276
4-hydroxy-3-methoxy cinnamaldehyde-ME4444749984No result-218.0492
4-hydroxybenzyl cyanide4-HydroxybenzeneacetonitrileME44447526548C03766-205.1464
4-hydroxymandelic acid4-Hydroxymandelic acidME444476328C11527-82.1312
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME444477127C00642-161.134
4-hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME444478979C01179-179.0883
4-hydroxypyridine4-PyridoneME44447912290No result-73.02796
4-vinylphenol-14-HydroxystyreneME44448062453C05627-174.0949
4-vinylphenol-24-HydroxystyreneME44448162453C05627-71.10339
4-vinylphenol-34-HydroxystyreneME44448262453C05627-299.5512
5,6-dihydrouracilDihydrouracilME444483649C00429-71.12165
5,7-dihydroxy-4'-methoxyisoflavoneBiochanin AME4444845280373C00814-127.0678
5-aminovaleric acid lactame-12-PiperidinoneME44448512665No result-130.1443
5-aminovaleric acid lactame-22-PiperidinoneME44448612665No result-142.0729
5-beta-androstan-3,17-dione-ME444487440114C03772-310.0088
5-beta-pregnan-17, 21-diol-3,11,20-dione-1-ME4444885283772No result-206.1388
5-beta-pregnan-17, 21-diol-3,11,20-dione-2-ME4444895283772No result-433.235
5-beta-pregnan-17, 21-diol-3,11,20-dione-3-ME4444905283772No result-433.2736
5-beta-pregnan-17, 21-diol-3,11,20-dione-4-ME4444915283772No result-221.1057
5-beta-pregnan-17, 21-diol-3,11,20-dione-5-ME4444925283772No result-155.1463
5-beta-pregnan-17, 21-diol-3,11,20-dione-6-ME4444935283772No result-91.06512
5-beta-pregnan-17, 21-diol-3,11,20-dione-7-ME4444945283772No result-221.1006
5-beta-pregnan-17, 21-diol-3,11,20-dione-8-ME4444955283772No result-343.2076
5-beta-pregnan-17, 21-diol-3,11,20-dione-9-ME4444965283772No result-343.1375
5-hydroxytryptophan-15-Hydroxy-tryptophanME444497144C01017-170.9986
5-hydroxytryptophan-25-Hydroxy-tryptophanME444498144C01017-290.0509
5-methoxytryptamine-15-MethoxytryptamineME4444991833C05659-204.09
5-methoxytryptamine-25-MethoxytryptamineME4445001833C05659-463.1656
6-aminopenicillanic acid6-Aminopenicillanic acidME44450111082C02954-174.0581
9-fluorenone-ME44450210241C06712-259.0351
acetanilideN-AcetylarylamineME444503904C07565-174.0898
acetophenoneAcetophenoneME4445047410C07113-199.0552
aconitic acid-1cis-Aconitic acidME444505444212C02341-185.0744
aconitic acid-2cis-Aconitic acidME444506444212C02341-215.0597
adipamide-1AdipamideME44450712364No result-143.138
adipamide-2AdipamideME44450812364No result-147.0533
adipamide-3AdipamideME44450912364No result-221.0397
adipamide-4AdipamideME44451012364No result-292.1066
adipamide-5AdipamideME44451112364No result-174.0958
adrenosteroneAdrenosteroneME4445129791No result-126.1323
alanine-1AlanineME44451357383916C01401-147.0423
alanine-2AlanineME44451457383916C01401-191.0796
alanine-3AlanineME44451557383916C01401-116.0597
allo-inositol-1-ME444516892No result-174.1009
allo-inositol-2-ME444517892No result-147.0376
allothreonineAllothreonineME4445186995276C05519-160.0676
allylmalonic acid-1-ME44451975748No result-189.0557
allylmalonic acid-2-ME44452075748No result-315.0394
allylmalonic acid-3-ME44452175748No result-156.0969
alpha-glucosamine 1-phosphate-ME444522740No result-217.0865
alpha-ketoglutarate-12-Oxoglutaric acidME44452351C00026-192.0266
alpha-ketoglutarate-22-Oxoglutaric acidME44452451C00026-147.0459
altrose-ME44452594780No result-311.2487
aminooxyacetic acid-ME444526286No result-359.05
anabasineAnabasineME4445272181C06180-91.0526
arachidiic acidArachidic acidME44452810467C06425-357.0515
arbutin-1ArbutinME444529440936C06186-355.0777
arbutin-2ArbutinME444530440936C06186-218.1349
ascorbate-1Vitamin CME44453154670067C00072-154.054
ascorbate-2Vitamin CME44453254670067C00072-155.1517
asparagineAsparagineME444533236No result-116.0734
behenic acidBehenic acidME4445348215C08281-69.07363
benyzlamineBenzylamineME4445357504C15562-132.0614
benzoic acidBenzoic acidME44453620144841C00180-179.0485
benzyl alcoholBenzyl alcoholME444537244C00556-165.0514
benzylthiocyanateBenzyl thiocyanateME44453818170C02660-163.0799
beta-alaninebeta-AlanineME444539239C00099-221.0572
beta-gentiobiose-1-ME44454092807No result-361.1396
beta-gentiobiose-2beta-GentiobioseME44454192807No result-206.9881
beta-glycerolphosphatesn-Glycero-2-phosphateME4445422526C02979-99.99643
beta-hydroxybutyric acid-13-Hydroxybutyric acidME444543441No result-156.073
beta-hydroxybutyric acid-23-Hydroxybutyric acidME444544441No result-117.0114
beta-hydroxybutyric acid-33-Hydroxybutyric acidME444545441No result-147.0276
beta-hydroxymyristic acid3-Hydroxytetradecanoic acidME44454616064No result-222.0945
beta-mannosylglycerate-1-ME4445475460194C11544-273.0191
beta-mannosylglycerate-2-ME4445485460194C11544-273.0116
beta-mannosylglycerate-3-ME4445495460194C11544-131.9169
beta-mannosylglycerate-4-ME4445505460194C11544-77.05473
beta-mannosylglycerate-5-ME4445515460194C11544-299.2069
bis-(2-hydroxypropyl)amine-1-ME4445528086No result-188.0445
bis-(2-hydroxypropyl)amine-2-ME4445538086No result-232.0787
capric acidCapric acidME4445542969C01571-229.1236
caprylic acid-1Caprylic acidME444555379C06423-71.12807
caprylic acid-2Caprylic acidME444556379C06423-201.09
caprylic acid-3Caprylic acidME444557379C06423-319.1001
carbazole-ME4445586854C08060-245.0966
catechinCatechinME4445599064C06562-457.2477
chlorogenic acid-1Chlorogenic acidME4445609476No result-169.0276
chlorogenic acid-2Chlorogenic acidME4445619476No result-119.0551
cholic acid-1Cholic acidME444562303No result-382.3122
cholic acid-2Cholic acidME444563303No result-155.149
cholic acid-3Cholic acidME444564303No result-87.0299
cholic acid-4-ME444565303No result-206.2239
cis-3,5-dimethoxy-4-hydroxycinnamaldehydeSinapoyl aldehydeME4445665280802C05610-245.0721
cis-gondoic acid-1cis-Gondoic acidME4445675282768C16526-280.9864
cis-gondoic acid-2cis-Gondoic acidME4445685282768C16526-367.291
citraconic acid-1-ME444569874No result-201.0401
citraconic acid-2Citraconic acidME444570874No result-141.1609
citraconic acid-3Citraconic acidME444571874No result-147.0491
citraconic acid-4-ME444572439766C02612-174.0017
conduritol B epoxide1,2-Anhydro-myo-inositolME4445732859No result-204.1582
coprostan-3-one5beta-CholestanoneME44457485881No result-255.1167
cortexolone-1-ME4445759050No result-103.9347
cortexolone-10-ME4445849050No result-128.0343
cortexolone-11-ME4445859050No result-227.0358
cortexolone-12-ME4445869050No result-227.028
cortexolone-211-DeoxycortisolME4445769050No result-78.01245
cortexolone-311-DeoxycortisolME4445779050No result-74.13767
cortexolone-4-ME4445789050No result-80.12417
cortexolone-5-ME4445799050No result-254.1404
cortexolone-6-ME4445809050No result-221.1405
cortexolone-7-ME4445819050No result-104.0872
cortexolone-8-ME4445829050No result-129.2434
cortexolone-9-ME4445839050No result-128.0031
creatine-1CreatineME444587586C00300-114.0193
creatine-2CreatineME444588586C00300-171.0638
creatine-3CreatineME444589586C00300-91.04527
creatine-4CreatineME444590586C00300-215.0738
cyclic AMP-1-ME444591274No result-311.2428
cyclic AMP-23',5' cyclic AMPME444592274No result-283.1223
cyclic AMP-33',5' cyclic AMPME444593274No result-165.0822
cyclic AMP-4-ME444594274No result-283.1401
cyclic AMP-5-ME444595274No result-237.1326
cyclic AMP-6-ME444596274No result-283.0969
cyclic AMP-7-ME444597274No result-311.2388
cysteine-glycineCys-GlyME44459825244227No result-220.0737
dehydroascorbic acidDehydroascorbic acidME444599440667C05422-72.96315
D-erythro-sphingosine-1SphingosineME4446005280335C00319-204.0593
D-erythro-sphingosine-2SphingosineME4446015280335C00319-217.1017
diglycerol-1DiglycerolME44460242953No result-204.0639
diglycerol-2DiglycerolME44460342953No result-73.01743
diglycerol-3DiglycerolME44460442953No result-185.0799
dihydrocarveol-ME44460537894No result-180.9779
dihydrolanosterol-1Dihydro-lanosterolME444606440560C05109-355.0412
dihydrolanosterol-2Dihydro-lanosterolME444607440560C05109-255.1036
dioctylphtalate-1Bis(2-ethylhexyl)phthalateME4446088343C03690-217.1197
dioctylphtalate-2Bis(2-ethylhexyl)phthalateME4446098343C03690-149.006
elaidic acid-1Elaidic acidME444610637517C01712-116.9334
elaidic acid-2Elaidic acidME444611637517C01712-73.01738
elaidic acid-3Elaidic acidME444612637517C01712-129.0056
epigallocatechin-1EpigallocatechinME44461372277C12136-155.0655
epigallocatechin-2EpigallocatechinME44461472277C12136-221.0635
erythrose-4-phosphateErythrose 4-phosphateME444615122357C00279-115.8547
ethyl trans-cinnamic acid-ME4446167649No result-127.1611
farnesal-ME44461768150No result-91.0583
flavononeFlavanoneME44461810251C00766-118.0371
fructoseFructoseME4446195984C10906-337.1589
fructose-2,6-bisphosphateFructose 2,6-bisphosphateME444620105021C00665-215.1145
fucose-1FucoseME44462117106C01019-105.0278
fucose-2FucoseME44462217106C01019-173.9114
fumaric acidFumaric acidME44462321883788C00122-245.0495
galactonic acid-1Galactonic acidME444624128869C00880-333.1602
galactonic acid-2Galactonic acidME444625128869C00880-72.1593
galactonic acid-3Galactonic acidME444626128869C00880-217.0561
galacturonic acid-1Galacturonic acidME444627152867No result-203.9589
galacturonic acid-2Galacturonic acidME444628152867No result-72.99333
glucoheptonic acid-1Glucoheptonic acidME44462925588No result-69.07725
glucoheptonic acid-2Glucoheptonic acidME44463025588No result-166.9587
glucoheptonic acid-3Glucoheptonic acidME44463125588No result-116.0129
glucoheptonic acid-4Glucoheptonic acidME44463225588No result-217.105
glucoheptose-1-ME444633219662No result-211.0395
glucoheptose-2-ME444634219662No result-262.0919
gluconic acid-1Gluconic acidME44463510690C00257-147.045
gluconic acid-2Gluconic acidME44463610690C00257-266.1299
gluconic acid-3Gluconic acidME44463710690C00257-203.8719
gluconic acid-4Gluconic acidME44463810690C00257-72.92082
gluconic acid lactone-1-ME444639736No result-295.0819
gluconic acid lactone-2GluconolactoneME444640736No result-91.06029
gluconic acid lactone-3GluconolactoneME444641736No result-260.0893
gluconic acid lactone-4-ME444642736No result-217.0293
glucose-6-phosphate-1-ME444643439958C03251-262.1589
glucose-6-phosphate-2Glucose 6-phosphateME444644439958C03251-232.0526
glucuronic acidGlucuronic acidME44464594715C00191-127.9799
glutamic acid-1Glutamic acidME44464657397101C00302-71.0226
glutamic acid-2Glutamic acidME44464757397101C00302-246.0852
glutamine-1GlutamineME4446485961C00064-69.07068
glutamine-2GlutamineME4446495961C00064-156.099
glutaric acid-1Glutaric acidME44465023322899C00489-218.0906
glutaric acid-2Glutaric acidME44465123322899C00489-160.0765
glutathione-1GlutathioneME444652124886C00051-215.1109
glutathione-2GlutathioneME444653124886C00051-218.0675
glycine-1GlycineME4446545257127C00037-85.11379
glycine-2GlycineME4446555257127C00037-102.0565
glycocyamine-1Guanidoacetic acidME4446563946848C00581-174.0417
glycocyamine-2Guanidoacetic acidME4446573946848C00581-130.1557
glycocyamine-3Guanidoacetic acidME4446583946848C00581-170.1352
glycocyamine-4Guanidoacetic acidME4446593946848C00581-374.1597
glycocyamine-5Guanidoacetic acidME4446603946848C00581-464.4982
glycolic acid-1Glycolic acidME4446613698251C00160-131.0677
glycolic acid-2Glycolic acidME4446623698251C00160-147.0452
guanidinosuccinateGuanidinosuccinic acidME44466397856No result-172.1059
guanineGuanineME444664764C00242-441.1589
halostachine-ME444665913C03711-337.1152
heptadecanoic acid-1Margaric acidME44466610465No result-327.244
heptadecanoic acid-2Margaric acidME44466710465No result-117.0144
hesperitin-1-ME4446683593No result-155.1932
hesperitin-2-ME4446693593No result-222.146
hesperitin-3-ME4446703593No result-488.3531
hesperitin-4-ME4446713593No result-185.134
hesperitin-5-ME4446723593No result-311.1898
hesperitin-6-ME4446733593No result-70.01591
hesperitin-7-ME4446743593No result-221.0602
hexadecanoic acid methyl esterMethyl hexadecanoateME4446758181C16995-87.07473
hippuric acid-1Hippuric acidME444676464C01586-105.0692
hippuric acid-2Hippuric acidME444677464C01586-206.0616
homogentistic acidHomogentisic acidME444678780C00544-196.1145
hydroxylamineHydroxylamineME444679787C00192-249.1245
hypoxanthine-1HypoxanthineME444680790C00262-74.10202
hypoxanthine-2HypoxanthineME444681790C00262-265.0484
iminodiacetic acid-1IminodiacetateME4446828897C19911-147.0398
iminodiacetic acid-2IminodiacetateME4446838897C19911-232.0817
iminodiacetic acid-3IminodiacetateME4446848897C19911-230.0917
indol-3-acetic acidIndoleacetic acidME444685802C00954-202.0779
indole-3-acetamide-11H-Indole-3-acetamideME444686397C02693-87.08712
indole-3-acetamide-21H-Indole-3-acetamideME444687397C02693-204.0513
indole-3-lactateIndolelactic acidME44468892904C02043-174.101
inosine 5'-monophosphateIMPME4446898582C00130-223.1022
isoleucineIsoleucineME4446906306C00407-164.0791
isopropyl beta-D-thiogalactopyranoside-1-ME444691552632No result-204.0586
isopropyl beta-D-thiogalactopyranoside-2Isopropyl beta-D-thiogalactosideME444692552632No result-131.0496
isopropyl beta-D-thiogalactopyranoside-3Isopropyl beta-D-thiogalactosideME444693552632No result-393.1506
kyotorphin-1Tyr-ArgME444694123804C02993-131.0533
kyotorphin-2Tyr-ArgME444695123804C02993-425.3428
kyotorphin-3Tyr-ArgME444696123804C02993-361.3003
lactamideLactamideME44469794220No result-105.0291
lactic acid-1Lactic acidME44469819789253C01432-72.15122
lactic acid-2Lactic acidME44469919789253C01432-71.09268
lactobionic acid-1Lactobionic acidME4447007314No result-204.03
lactobionic acid-2Lactobionic acidME4447017314No result-496.3069
lactose-1LactoseME444702493593No result-204.0469
lactose-2LactoseME444703493593No result-361.1251
lauric acid-1Lauric acidME4447043893C02679-98.17336
lauric acid-2Lauric acidME4447053893C02679-117.0152
L-gulonic acid gamma-lactoneL-GulonolactoneME444706439373C01040-217.0432
L-homoserine-1HomoserineME44470712647C00263-116.0896
L-homoserine-2HomoserineME44470812647C00263-218.08
linolenic acidOctadecatrienoic acidME4447095280934C06427-337.2114
loganinLoganinME44471087691C01433-169.0561
lysineLysineME4447115962C00047-174.0782
lyxono-1,4-lactone-ME4447126427169No result-217.0825
lyxose-1LyxoseME44471365550No result-248.0808
lyxose-2LyxoseME44471465550No result-217.0893
lyxose-3LyxoseME44471565550No result-73.04255
maleamic acidMaleamateME44471611187No result-244.023
malic acid-1Malic acidME444717222656C00149-146.9984
malic acid-2Malic acidME444718222656C00149-72.13987
malic acid-3Malic acidME444719222656C00149-218.0626
malic acid-4Malic acidME444720222656C00149-147.0484
malonamide-ME4447217911No result-189.0788
malonic acid-1Malonic acidME44472223511544C00383-210.9906
malonic acid-2Malonic acidME44472323511544C00383-294.0204
maltotriitol-1-ME444724118008No result-283.1229
maltotriitol-2-ME444725118008No result-206.1384
maltotriose-1MaltotrioseME444726439586C01835-441.3305
maltotriose-2MaltotrioseME444727439586C01835-361.1317
maltotriose-3MaltotrioseME444728439586C01835-204.0853
mannitol-1MannitolME4447296251C00392-307.1205
mannitol-2MannitolME4447306251C00392-73.13721
mannitol-3MannitolME4447316251C00392-190.0728
mannitol-4MannitolME4447326251C00392-204.1242
mannitol-5MannitolME4447336251C00392-319.0827
mannoseMannoseME44473424749No result-281.0346
melatonin-1MelatoninME444735896C01598-290.075
melatonin-2MelatoninME444736896C01598-225.1497
melezitoseMelezitoseME44473792817C08243-129.0514
menthoneMenthoneME44473826447C00843-115.0561
methanolphosphateMethanolphosphateME44473913130No result-241.0134
methionineMethionineME4447405255805C01733-176.068
methionine sulfoxideMethionine sulfoxideME44474125244659No result-274.1067
methylmalonic acid-1Methylmalonic acidME444744487C02170-57.08979
methylmalonic acid-2Methylmalonic acidME444745487C02170-147.0423
methylmalonic acid-3Methylmalonic acidME444746487C02170-131.0752
methylmalonic acid-4Methylmalonic acidME444747487C02170-102.0514
methyl O-D-galactopyranoside-1-ME44474217751029No result-204.0307
methyl O-D-galactopyranoside-2Methyl beta-D-galactosideME44474317751029No result-204.0587
methylyellow-ME4447486053No result-79.07716
monooleinMG 18:1ME4447495283468No result-204.0321
mucic acid-1-ME444750607No result-156.0803
mucic acid-2Galactaric acidME444751607No result-73.01199
myo-inositolMyo-inositolME444752892No result-218.0885
N-(2-fluorenyl)acetamide2-AcetamidofluoreneME4447535897C02778-165.0675
N-(2-hydroxyethyl)-iminodiacetic acid-ME4447547152No result-232.0566
N-acetyl-5-hydroxytryptamineN-AcetylserotoninME444756903C00978-174.0876
N-acetyl-D-mannosamineN-Acetyl-mannosamineME4447573084028No result-156.0731
N-acetylisatin-ME44475811321C02172-131.7145
N-acetyl-phenylalanineN-AcetylphenylalanineME44475974839C03519-91.05143
N-acetyl-tryptophan-1-ME4447602002No result-179.0223
N-acetyl-tryptophan-2N-Acetyl-tryptophanME4447612002No result-117.038
naringenin-1NaringeninME444762439246C00509-206.9949
naringenin-2NaringeninME444763439246C00509-375.1508
naringenin-3NaringeninME444764439246C00509-233.109
naringenin-4NaringeninME444765439246C00509-165.0665
N-carbamylglutamate-1Carglumic acidME444766121396C05829-129.0874
N-carbamylglutamate-2Carglumic acidME444767121396C05829-273.0551
N-carbobenzyloxyl-leucine-1N-Benzyloxycarbonyl-L-leucineME44476874840C04335-72.03884
N-carbobenzyloxyl-leucine-10N-Benzyloxycarbonyl-L-leucineME44477774840C04335-319.1795
N-carbobenzyloxyl-leucine-11N-Benzyloxycarbonyl-L-leucineME44477874840C04335-204.0667
N-carbobenzyloxyl-leucine-2N-Benzyloxycarbonyl-L-leucineME44476974840C04335-50.93784
N-carbobenzyloxyl-leucine-3N-Benzyloxycarbonyl-L-leucineME44477074840C04335-86.04258
N-carbobenzyloxyl-leucine-4N-Benzyloxycarbonyl-L-leucineME44477174840C04335-171.9884
N-carbobenzyloxyl-leucine-5N-Benzyloxycarbonyl-L-leucineME44477274840C04335-69.09431
N-carbobenzyloxyl-leucine-6N-Benzyloxycarbonyl-L-leucineME44477374840C04335-347.1249
N-carbobenzyloxyl-leucine-7N-Benzyloxycarbonyl-L-leucineME44477474840C04335-91.05132
N-carbobenzyloxyl-leucine-8N-Benzyloxycarbonyl-L-leucineME44477574840C04335-117.0427
N-carbobenzyloxyl-leucine-9N-Benzyloxycarbonyl-L-leucineME44477674840C04335-91.04989
neohesperidinHesperetin 7-neohesperidosideME444779232990No result-217.0909
N-ethylmaleamic acid-ME4447805369191No result-350.12
N-formyl-methionineN-FormylmethionineME444781911No result-91.0634
nicotinic acid-1Nicotinic acidME444782938C00253-192.0933
nicotinic acid-2Nicotinic acidME444783938C00253-192.0113
nicotinic acid-3Nicotinic acidME444784938C00253-73.01918
N-methylalanineN-MethylalanineME44478525245686No result-119.0805
N-methylglutamic acidN-Methyl-glutamic acidME444786439377C01046-158.0901
N,N-dimethylhistidineN,N-DimethylhistidineME444755440274C04259-72.96671
nonanoic acid methyl ester-ME44478715606No result-70.12195
noradrenalineXi-NorepinephrineME444788951No result-97.14552
norleucineNorleucineME444789517543No result-158.1028
norvaline-1-ME4447905255804No result-144.0896
norvaline-2NorvalineME4447915255804No result-72.032
norvaline-3NorvalineME4447925255804No result-67.06082
o-cresolo-CresolME444793335C01542-188.0723
octacosanoic acid methyl ester-ME44479441518No result-207.0328
octadecanolStearyl alcoholME4447958221D01924-327.2401
octanal-1CaprylaldehydeME444796454C01545-249.1195
octanal-2CaprylaldehydeME444797454C01545-239.2881
o-hydroxyhippuric acidSalicyluric acidME44479810253C07588-201.056
O-methylthreonine-ME444799222906No result-207.005
O-phosphorylethanolaminePhosphoethanolamineME4448001015C00346-299.0516
O-phosphoserine-1DL-O-PhosphoserineME44480157689797C01005-299.0613
O-phosphoserine-2DL-O-PhosphoserineME44480257689797C01005-217.0472
ornithine-1OrnithineME4448036262C00077-306.1431
ornithine-2OrnithineME4448046262C00077-142.0662
ornithine-3OrnithineME4448056262C00077-142.0732
ornithine-4OrnithineME4448066262C00077-142.0615
oxalacetic acidOxaloacetic acidME444807970C00036-185.0658
oxalic acidOxalic acidME44480818676629C00209-89.04978
oxamide-ME44480910113No result-169.2003
oxoprolineOxoprolineME4448107405C01879-156.0474
palatinosePalatinoseME444811439559C01742-319.1011
palmitic acidPalmitic acidME444812985C00249-74.13103
palmitoleic acid-1Palmitoleic acidME4448134668No result-174.1396
palmitoleic acid-2Palmitoleic acidME4448144668No result-116.9991
palmitoleic acid-3Palmitoleic acidME4448154668No result-218.1592
pantothenic acidPantothenic acidME4448166613C00864-243.1772
paraoxone-ME4448179395C06606-156.0642
p-cresolP-CresolME4448182879C01468-86.09882
pelargonic acidPelargonic acidME4448198158C01601-292.1279
pentadecanoic acid-1Pentadecylic acidME44482013849C16537-132.0379
pentadecanoic acid-2Pentadecylic acidME44482113849C16537-204.9847
phenaceturic aciidPhenylacetylglycineME44482268144C05598-218.0684
phenylacetaldehydePhenylacetaldehydeME444823998C00601-144.1117
phenylacetaldyde dimer4PhenylacetaldehydeME444824998C00601-249.0984
phenylacetic acid-1Phenylacetic acidME444825999C07086-131.0723
phenylacetic acid-2Phenylacetic acidME444826999C07086-180.9832
phenylalanine-1PhenylalanineME44482757397115C02057-120.0543
phenylalanine-2PhenylalanineME44482857397115C02057-218.0635
phenyl-beta-glucopyranosidePhenylglucosideME44482965080C03097-204.0579
phloretinPhloretinME4448304788C00774-120.0988
phloroglucinol-ME444831359C02183-86.08712
phosphogluconic acidPhosphogluconic acidME444832422No result-365.2677
phosphomycinFosfomycinME44483331669No result-171.0756
phthalic acid-1Phthalic acidME4448341017C01606-298.0939
phthalic acid-2Phthalic acidME4448351017C01606-217.0676
phthalic acid-3Phthalic acidME4448361017C01606-279.1603
phytosphingosinePhytosphingosineME444837122121C12144-328.2715
piceatannol-1-ME4448384813No result-158.1015
piceatannol-2PiceatannolME4448394813No result-375.1198
piceatannol-3PiceatannolME4448404813No result-185.1352
piceatannol-4-ME4448414813No result-206.9994
pipecolinic acidPipecolic acidME44484225200477No result-117.0303
progesterone-1ProgesteroneME4448435994C00410-227.0323
progesterone-2ProgesteroneME4448445994C00410-232.0857
proline-1ProlineME44484525246272No result-72.09252
proline-2ProlineME44484625246272No result-142.0731
prostaglandin A2-1-ME4448474953No result-58.12019
prostaglandin A2-2PGA2ME4448484953No result-259.1114
prostaglandin A2-3PGA2ME4448494953No result-221.0542
prostaglandin A2-4-ME4448504953No result-221.119
prostaglandin E2PGE2ME444851158No result-129.0421
purine ribosideNebularineME44485268368C01736-217.0867
pyridoxal-5'-phosphatePyridoxal 5'-phosphateME4448531051C00018-210.9468
pyrogallol1,2,3-TrihydroxybenzeneME4448541057C01108-232.0753
pyrophosphatePyrophosphateME4448551023C00013-211.0105
pyruvic acid-1Pyruvic acidME4448561060C00022-174.1074
pyruvic acid-2Pyruvic acidME4448571060C00022-147.0371
pyruvic acid-3Pyruvic acidME4448581060C00022-174.0289
pyruvic acid-4Pyruvic acidME4448591060C00022-71.10761
quinic acid-1-ME4448601064No result-220.7621
quinic acid-2Quinic acidME4448611064No result-145.0767
resveratrol-1ResveratrolME4448625056No result-87.03436
resveratrol-2ResveratrolME4448635056No result-204.0528
ribitolRibitolME4448646912No result-260.1347
ribonic acid gamma-lactoneRibonolactoneME444865111064No result-245.0972
saccharic acidGlucaric acidME44486633037C00818-203.9203
saccharinSaccharinME4448675143C12283-91.05688
salicylic acidSalicylic acidME444868338C00805-267.0961
sarcosine-1SarcosineME4448691088C00213-72.97956
sarcosine-2SarcosineME4448701088C00213-258.0192
sarcosine-3SarcosineME4448711088C00213-201.0319
sarcosine-4SarcosineME4448721088C00213-116.0726
serine-1SerineME444873617C00716-116.027
serine-2SerineME444874617C00716-204.0707
sinapyl alcoholSinapyl alcoholME4448755280507C02325-172.1615
sorbitolSorbitolME4448765780C00794-71.13466
spermidine-1SpermidineME4448771102C00315-116.0633
spermidine-2SpermidineME4448781102C00315-201.9123
spermidine-3SpermidineME4448791102C00315-131.0419
stearic acid-1Stearic acidME4448805281C01530-299.1136
stearic acid-2Stearic acidME4448815281C01530-116.9575
stearic acid-3Stearic acidME4448825281C01530-210.9406
stigmasterolStigmasterolME4448835356634No result-155.1115
succinate semialdehydeSuccinic acid semialdehydeME4448841112C00232-89.04822
succinic acid-1Succinic acidME4448851110C00042-147.0432
succinic acid-2Succinic acidME4448861110C00042-113.075
sucrose-6-phosphateSucrose 6-phosphateME444887439762C02591-227.0424
sulfuric acidTG 16:0_18:1_18:1ME4448881118C00059-145.1617
tagatoseD-TagatoseME44488992092D09007-216.0235
tartronic acidHydroxypropanedioic acidME44489045C02287-221.0597
threo-3-isopropylmalate-ME4448915462261C04411-219.9936
threo-beta hydroxyaspartate-ME4448925425No result-206.0701
threonic acid-1Threonic acidME444893151152No result-158.0943
threonic acid-2Threonic acidME444894151152No result-147.045
threose-1ThreoseME444895101562No result-189.0882
threose-2ThreoseME444896101562No result-218.1358
thymidineThymidineME4448975789C00214-343.2243
trans-3,5-dimethoxy-4-hydroxycinnamaldehydeSinapoyl aldehydeME4448985280802C05610-174.0929
trans-3-hexenedioic acid-1-ME444899107550No result-161.0667
trans-3-hexenedioic acid-2-ME444900107550No result-257.1051
trans-3-hexenedioic acid-3-ME444901107550No result-243.0756
trans-3-hexenedioic acid-4-ME444902107550No result-217.0995
tryptophan-1TryptophanME4449031148C00806-202.0862
tryptophan-2TryptophanME4449041148C00806-160.1053
tryptophan-3TryptophanME4449051148C00806-279.0671
tyrosine-1TyrosineME4449061153C01536-149.0077
tyrosine-2TyrosineME4449071153C01536-236.0633
urea-1UreaME4449081176C00086-147.0698
urea-2UreaME4449091176C00086-88.05256
urea-3UreaME4449101176C00086-146.9232
urea-4UreaME4449111176C00086-66.64967
uridineUridineME4449126029C00299-289.3161
valineValineME4449131182No result-72.07106
xanthineXanthineME4449141188C00385-241.0529
xanthosineXanthosineME4449151189No result-375.1295


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