Return to study ST000311 main page   Show: (1)HMDB and KEGG pathways   (2)REACTOME pathways containing these metabolites

SelectMetabolite Name Metabolite Id Refmet Name Ret. Index Quant. m/z Analysis Display
2,3,5-Trihydroxytoluene ME111697 2,3,5-Trihydroxytoluene 2.06141.0546NEGATIVE ION MODE/Peak Area
3-Hydroxyanthranilate ME111759 3-Hydroxyanthranilic acid 5.13154.0502NEGATIVE ION MODE/Peak Area
3-Sulfocatechol ME111772 3-Sulfocatechol 1.88191.0000NEGATIVE ION MODE/Peak Area
3-tert-Butyl-5-methylcatechol_1 ME111776 3-tert-Butyl-5-methylcatechol 10.06181.1224NEGATIVE ION MODE/Peak Area
3-tert-Butyl-5-methylcatechol_2 ME111777 3-tert-Butyl-5-methylcatechol 14.37181.1224NEGATIVE ION MODE/Peak Area
4-Cumylphenol ME111788 4-Cumylphenol 12.70213.1276NEGATIVE ION MODE/Peak Area
5-Nitro-ortho-anisidine ME111837 2-Methoxy-5-nitroaniline 0.81169.0589NEGATIVE ION MODE/Peak Area
5-Sulfosalicylate_1 ME111841 5-Sulfosalicylic acid 4.31218.9951NEGATIVE ION MODE/Peak Area
5-Sulfosalicylate_2 ME111842 5-Sulfosalicylic acid 3.95218.9948NEGATIVE ION MODE/Peak Area
5-Sulfosalicylate_3 ME111843 5-Sulfosalicylic acid 2.28218.9957NEGATIVE ION MODE/Peak Area
Anthranilate ME111888 2-Aminobenzoic acid 7.39138.0552NEGATIVE ION MODE/Peak Area
Benzoyl phosphate ME111909 Benzoyl phosphate 2.29203.0120NEGATIVE ION MODE/Peak Area
Benzyl 2-methyl-3-oxobutanoate ME111910 Benzyl 2-methyl-3-oxobutanoate 6.27207.1023NEGATIVE ION MODE/Peak Area
Buclizine ME111920 Buclizine 11.36433.2413NEGATIVE ION MODE/Peak Area
CCCP ME111930 CCCP 1.35205.0289NEGATIVE ION MODE/Peak Area
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1 ME111935 (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol 10.21189.0916NEGATIVE ION MODE/Peak Area
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2 ME111936 (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol 10.09189.0914NEGATIVE ION MODE/Peak Area
Felbamate ME111999 Felbamate 5.37239.1028NEGATIVE ION MODE/Peak Area
Fexofenadine ME112003 Fexofenadine 11.73502.2929NEGATIVE ION MODE/Peak Area
Ketoprofen ME112053 Ketoprofen 11.02255.1031NEGATIVE ION MODE/Peak Area
Mandelonitrile ME112116 2-Hydroxy-2-phenylacetonitrile 7.42134.0603NEGATIVE ION MODE/Peak Area
Phenylethyl alcohol_1 ME112249 2-Phenylethanol 9.22123.0810NEGATIVE ION MODE/Peak Area
Phenylethyl alcohol_2 ME112250 2-Phenylethanol 5.27123.0810NEGATIVE ION MODE/Peak Area
Tetralin_1 ME112316 Tetralin 2.72133.0997NEGATIVE ION MODE/Peak Area
Tetralin_2 ME112317 Tetralin 2.41133.0998NEGATIVE ION MODE/Peak Area
2,3,5-Trihydroxytoluene ME113100 2,3,5-Trihydroxytoluene 2.06141.0546NEGATIVE ION MODE/Peak Height
3-Hydroxyanthranilate ME113162 3-Hydroxyanthranilic acid 5.13154.0502NEGATIVE ION MODE/Peak Height
3-Sulfocatechol ME113175 3-Sulfocatechol 1.88191.0000NEGATIVE ION MODE/Peak Height
3-tert-Butyl-5-methylcatechol_1 ME113179 3-tert-Butyl-5-methylcatechol 10.06181.1224NEGATIVE ION MODE/Peak Height
3-tert-Butyl-5-methylcatechol_2 ME113180 3-tert-Butyl-5-methylcatechol 14.37181.1224NEGATIVE ION MODE/Peak Height
4-Cumylphenol ME113191 4-Cumylphenol 12.70213.1276NEGATIVE ION MODE/Peak Height
5-Nitro-ortho-anisidine ME113240 2-Methoxy-5-nitroaniline 0.81169.0589NEGATIVE ION MODE/Peak Height
5-Sulfosalicylate_1 ME113244 5-Sulfosalicylic acid 4.31218.9951NEGATIVE ION MODE/Peak Height
5-Sulfosalicylate_2 ME113245 5-Sulfosalicylic acid 3.95218.9948NEGATIVE ION MODE/Peak Height
5-Sulfosalicylate_3 ME113246 5-Sulfosalicylic acid 2.28218.9957NEGATIVE ION MODE/Peak Height
Anthranilate ME113291 2-Aminobenzoic acid 7.39138.0552NEGATIVE ION MODE/Peak Height
Benzoyl phosphate ME113312 Benzoyl phosphate 2.29203.0120NEGATIVE ION MODE/Peak Height
Benzyl 2-methyl-3-oxobutanoate ME113313 Benzyl 2-methyl-3-oxobutanoate 6.27207.1023NEGATIVE ION MODE/Peak Height
Buclizine ME113323 Buclizine 11.36433.2413NEGATIVE ION MODE/Peak Height
CCCP ME113333 CCCP 1.35205.0289NEGATIVE ION MODE/Peak Height
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1 ME113338 (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol 10.21189.0916NEGATIVE ION MODE/Peak Height
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2 ME113339 (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol 10.09189.0914NEGATIVE ION MODE/Peak Height
Felbamate ME113402 Felbamate 5.37239.1028NEGATIVE ION MODE/Peak Height
Fexofenadine ME113406 Fexofenadine 11.73502.2929NEGATIVE ION MODE/Peak Height
Ketoprofen ME113456 Ketoprofen 11.02255.1031NEGATIVE ION MODE/Peak Height
Mandelonitrile ME113519 2-Hydroxy-2-phenylacetonitrile 7.42134.0603NEGATIVE ION MODE/Peak Height
Phenylethyl alcohol_1 ME113652 2-Phenylethanol 9.22123.0810NEGATIVE ION MODE/Peak Height
Phenylethyl alcohol_2 ME113653 2-Phenylethanol 5.27123.0810NEGATIVE ION MODE/Peak Height
Tetralin_1 ME113719 Tetralin 2.72133.0997NEGATIVE ION MODE/Peak Height
Tetralin_2 ME113720 Tetralin 2.41133.0998NEGATIVE ION MODE/Peak Height
2,3,5-Trihydroxytoluene ME111011 2,3,5-Trihydroxytoluene 2.10141.0545POSITIVE ION MODE/Peak Area
3-Hydroxyanthranilate_1 ME111065 3-Hydroxyanthranilic acid 1.51154.0479POSITIVE ION MODE/Peak Area
3-Hydroxyanthranilate_2 ME111066 3-Hydroxyanthranilic acid 5.13154.0502POSITIVE ION MODE/Peak Area
3-Sulfocatechol ME111076 3-Sulfocatechol 1.87191.0000POSITIVE ION MODE/Peak Area
3-tert-Butyl-5-methylcatechol_1 ME111079 3-tert-Butyl-5-methylcatechol 10.06181.1224POSITIVE ION MODE/Peak Area
3-tert-Butyl-5-methylcatechol_2 ME111080 3-tert-Butyl-5-methylcatechol 14.37181.1224POSITIVE ION MODE/Peak Area
4-Cumylphenol ME111089 4-Cumylphenol 12.70213.1275POSITIVE ION MODE/Peak Area
5-Nitro-ortho-anisidine ME111132 2-Methoxy-5-nitroaniline 0.81169.0588POSITIVE ION MODE/Peak Area
5-Sulfosalicylate_1 ME111135 5-Sulfosalicylic acid 3.93218.9947POSITIVE ION MODE/Peak Area
5-Sulfosalicylate_2 ME111136 5-Sulfosalicylic acid 2.28218.9955POSITIVE ION MODE/Peak Area
5-Sulfosalicylate_3 ME111137 5-Sulfosalicylic acid 4.31218.9950POSITIVE ION MODE/Peak Area
Anthranilate ME111178 2-Aminobenzoic acid 7.39138.0551POSITIVE ION MODE/Peak Area
Benzoyl phosphate ME111200 Benzoyl phosphate 2.29203.0119POSITIVE ION MODE/Peak Area
Benzyl 2-methyl-3-oxobutanoate ME111201 Benzyl 2-methyl-3-oxobutanoate 6.27207.1022POSITIVE ION MODE/Peak Area
Buclizine ME111212 Buclizine 11.37433.2410POSITIVE ION MODE/Peak Area
CCCP ME111226 CCCP 1.35205.0289POSITIVE ION MODE/Peak Area
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1 ME111231 (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol 10.19189.0914POSITIVE ION MODE/Peak Area
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2 ME111232 (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol 10.29189.0916POSITIVE ION MODE/Peak Area
Felbamate ME111298 Felbamate 5.39239.1029POSITIVE ION MODE/Peak Area
Ferimzone ME111300 Ferimzone 10.05255.1590POSITIVE ION MODE/Peak Area
Fexofenadine ME111304 Fexofenadine 11.74502.2950POSITIVE ION MODE/Peak Area
Ketoprofen ME111353 Ketoprofen 11.02255.1031POSITIVE ION MODE/Peak Area
Mandelonitrile ME111418 2-Hydroxy-2-phenylacetonitrile 7.42134.0603POSITIVE ION MODE/Peak Area
Phenylethyl alcohol_1 ME111514 2-Phenylethanol 9.20123.0810POSITIVE ION MODE/Peak Area
Phenylethyl alcohol_2 ME111515 2-Phenylethanol 5.27123.0810POSITIVE ION MODE/Peak Area
Propofol ME111531 Propofol 12.98179.1431POSITIVE ION MODE/Peak Area
Tetralin_1 ME111591 Tetralin 2.72133.0997POSITIVE ION MODE/Peak Area
Tetralin_2 ME111592 Tetralin 2.42133.0998POSITIVE ION MODE/Peak Area
2,3,5-Trihydroxytoluene ME112414 2,3,5-Trihydroxytoluene 2.10141.0545POSITIVE ION MODE/Peak Height
3-Hydroxyanthranilate_1 ME112468 3-Hydroxyanthranilic acid 1.51154.0479POSITIVE ION MODE/Peak Height
3-Hydroxyanthranilate_2 ME112469 3-Hydroxyanthranilic acid 5.13154.0502POSITIVE ION MODE/Peak Height
3-Sulfocatechol ME112479 3-Sulfocatechol 1.87191.0000POSITIVE ION MODE/Peak Height
3-tert-Butyl-5-methylcatechol_1 ME112482 3-tert-Butyl-5-methylcatechol 10.06181.1224POSITIVE ION MODE/Peak Height
3-tert-Butyl-5-methylcatechol_2 ME112483 3-tert-Butyl-5-methylcatechol 14.37181.1224POSITIVE ION MODE/Peak Height
4-Cumylphenol ME112492 4-Cumylphenol 12.70213.1275POSITIVE ION MODE/Peak Height
5-Nitro-ortho-anisidine ME112535 2-Methoxy-5-nitroaniline 0.81169.0588POSITIVE ION MODE/Peak Height
5-Sulfosalicylate_1 ME112538 5-Sulfosalicylic acid 3.93218.9947POSITIVE ION MODE/Peak Height
5-Sulfosalicylate_2 ME112539 5-Sulfosalicylic acid 2.28218.9955POSITIVE ION MODE/Peak Height
5-Sulfosalicylate_3 ME112540 5-Sulfosalicylic acid 4.31218.9950POSITIVE ION MODE/Peak Height
Anthranilate ME112581 2-Aminobenzoic acid 7.39138.0551POSITIVE ION MODE/Peak Height
Benzoyl phosphate ME112603 Benzoyl phosphate 2.29203.0119POSITIVE ION MODE/Peak Height
Benzyl 2-methyl-3-oxobutanoate ME112604 Benzyl 2-methyl-3-oxobutanoate 6.27207.1022POSITIVE ION MODE/Peak Height
Buclizine ME112615 Buclizine 11.37433.2410POSITIVE ION MODE/Peak Height
CCCP ME112629 CCCP 1.35205.0289POSITIVE ION MODE/Peak Height
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1 ME112634 (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol 10.19189.0914POSITIVE ION MODE/Peak Height
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2 ME112635 (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol 10.29189.0916POSITIVE ION MODE/Peak Height
Felbamate ME112701 Felbamate 5.39239.1029POSITIVE ION MODE/Peak Height
Ferimzone ME112703 Ferimzone 10.05255.1590POSITIVE ION MODE/Peak Height
Fexofenadine ME112707 Fexofenadine 11.74502.2950POSITIVE ION MODE/Peak Height
Ketoprofen ME112756 Ketoprofen 11.02255.1031POSITIVE ION MODE/Peak Height
Mandelonitrile ME112821 2-Hydroxy-2-phenylacetonitrile 7.42134.0603POSITIVE ION MODE/Peak Height
Phenylethyl alcohol_1 ME112917 2-Phenylethanol 9.20123.0810POSITIVE ION MODE/Peak Height
Phenylethyl alcohol_2 ME112918 2-Phenylethanol 5.27123.0810POSITIVE ION MODE/Peak Height
Propofol ME112934 Propofol 12.98179.1431POSITIVE ION MODE/Peak Height
Tetralin_1 ME112994 Tetralin 2.72133.0997POSITIVE ION MODE/Peak Height
Tetralin_2 ME112995 Tetralin 2.42133.0998POSITIVE ION MODE/Peak Height


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