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Return to study ST000311 main page
Show: (1)
HMDB and KEGG pathways
(2)
REACTOME pathways
containing these metabolites
Select
Metabolite Name
Metabolite Id
Refmet Name
Ret. Index
Quant. m/z
Analysis Display
2,3,5-Trihydroxytoluene
ME111697
2,3,5-Trihydroxytoluene
2.06
141.0546
NEGATIVE ION MODE/Peak Area
3-Hydroxyanthranilate
ME111759
3-Hydroxyanthranilic acid
5.13
154.0502
NEGATIVE ION MODE/Peak Area
3-Sulfocatechol
ME111772
3-Sulfocatechol
1.88
191.0000
NEGATIVE ION MODE/Peak Area
3-tert-Butyl-5-methylcatechol_1
ME111776
3-tert-Butyl-5-methylcatechol
10.06
181.1224
NEGATIVE ION MODE/Peak Area
3-tert-Butyl-5-methylcatechol_2
ME111777
3-tert-Butyl-5-methylcatechol
14.37
181.1224
NEGATIVE ION MODE/Peak Area
4-Cumylphenol
ME111788
4-Cumylphenol
12.70
213.1276
NEGATIVE ION MODE/Peak Area
5-Nitro-ortho-anisidine
ME111837
2-Methoxy-5-nitroaniline
0.81
169.0589
NEGATIVE ION MODE/Peak Area
5-Sulfosalicylate_1
ME111841
5-Sulfosalicylic acid
4.31
218.9951
NEGATIVE ION MODE/Peak Area
5-Sulfosalicylate_2
ME111842
5-Sulfosalicylic acid
3.95
218.9948
NEGATIVE ION MODE/Peak Area
5-Sulfosalicylate_3
ME111843
5-Sulfosalicylic acid
2.28
218.9957
NEGATIVE ION MODE/Peak Area
Anthranilate
ME111888
2-Aminobenzoic acid
7.39
138.0552
NEGATIVE ION MODE/Peak Area
Benzoyl phosphate
ME111909
Benzoyl phosphate
2.29
203.0120
NEGATIVE ION MODE/Peak Area
Benzyl 2-methyl-3-oxobutanoate
ME111910
Benzyl 2-methyl-3-oxobutanoate
6.27
207.1023
NEGATIVE ION MODE/Peak Area
Buclizine
ME111920
Buclizine
11.36
433.2413
NEGATIVE ION MODE/Peak Area
CCCP
ME111930
CCCP
1.35
205.0289
NEGATIVE ION MODE/Peak Area
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
ME111935
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.21
189.0916
NEGATIVE ION MODE/Peak Area
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
ME111936
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.09
189.0914
NEGATIVE ION MODE/Peak Area
Felbamate
ME111999
Felbamate
5.37
239.1028
NEGATIVE ION MODE/Peak Area
Fexofenadine
ME112003
Fexofenadine
11.73
502.2929
NEGATIVE ION MODE/Peak Area
Ketoprofen
ME112053
Ketoprofen
11.02
255.1031
NEGATIVE ION MODE/Peak Area
Mandelonitrile
ME112116
2-Hydroxy-2-phenylacetonitrile
7.42
134.0603
NEGATIVE ION MODE/Peak Area
Phenylethyl alcohol_1
ME112249
2-Phenylethanol
9.22
123.0810
NEGATIVE ION MODE/Peak Area
Phenylethyl alcohol_2
ME112250
2-Phenylethanol
5.27
123.0810
NEGATIVE ION MODE/Peak Area
Tetralin_1
ME112316
Tetralin
2.72
133.0997
NEGATIVE ION MODE/Peak Area
Tetralin_2
ME112317
Tetralin
2.41
133.0998
NEGATIVE ION MODE/Peak Area
2,3,5-Trihydroxytoluene
ME113100
2,3,5-Trihydroxytoluene
2.06
141.0546
NEGATIVE ION MODE/Peak Height
3-Hydroxyanthranilate
ME113162
3-Hydroxyanthranilic acid
5.13
154.0502
NEGATIVE ION MODE/Peak Height
3-Sulfocatechol
ME113175
3-Sulfocatechol
1.88
191.0000
NEGATIVE ION MODE/Peak Height
3-tert-Butyl-5-methylcatechol_1
ME113179
3-tert-Butyl-5-methylcatechol
10.06
181.1224
NEGATIVE ION MODE/Peak Height
3-tert-Butyl-5-methylcatechol_2
ME113180
3-tert-Butyl-5-methylcatechol
14.37
181.1224
NEGATIVE ION MODE/Peak Height
4-Cumylphenol
ME113191
4-Cumylphenol
12.70
213.1276
NEGATIVE ION MODE/Peak Height
5-Nitro-ortho-anisidine
ME113240
2-Methoxy-5-nitroaniline
0.81
169.0589
NEGATIVE ION MODE/Peak Height
5-Sulfosalicylate_1
ME113244
5-Sulfosalicylic acid
4.31
218.9951
NEGATIVE ION MODE/Peak Height
5-Sulfosalicylate_2
ME113245
5-Sulfosalicylic acid
3.95
218.9948
NEGATIVE ION MODE/Peak Height
5-Sulfosalicylate_3
ME113246
5-Sulfosalicylic acid
2.28
218.9957
NEGATIVE ION MODE/Peak Height
Anthranilate
ME113291
2-Aminobenzoic acid
7.39
138.0552
NEGATIVE ION MODE/Peak Height
Benzoyl phosphate
ME113312
Benzoyl phosphate
2.29
203.0120
NEGATIVE ION MODE/Peak Height
Benzyl 2-methyl-3-oxobutanoate
ME113313
Benzyl 2-methyl-3-oxobutanoate
6.27
207.1023
NEGATIVE ION MODE/Peak Height
Buclizine
ME113323
Buclizine
11.36
433.2413
NEGATIVE ION MODE/Peak Height
CCCP
ME113333
CCCP
1.35
205.0289
NEGATIVE ION MODE/Peak Height
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
ME113338
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.21
189.0916
NEGATIVE ION MODE/Peak Height
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
ME113339
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.09
189.0914
NEGATIVE ION MODE/Peak Height
Felbamate
ME113402
Felbamate
5.37
239.1028
NEGATIVE ION MODE/Peak Height
Fexofenadine
ME113406
Fexofenadine
11.73
502.2929
NEGATIVE ION MODE/Peak Height
Ketoprofen
ME113456
Ketoprofen
11.02
255.1031
NEGATIVE ION MODE/Peak Height
Mandelonitrile
ME113519
2-Hydroxy-2-phenylacetonitrile
7.42
134.0603
NEGATIVE ION MODE/Peak Height
Phenylethyl alcohol_1
ME113652
2-Phenylethanol
9.22
123.0810
NEGATIVE ION MODE/Peak Height
Phenylethyl alcohol_2
ME113653
2-Phenylethanol
5.27
123.0810
NEGATIVE ION MODE/Peak Height
Tetralin_1
ME113719
Tetralin
2.72
133.0997
NEGATIVE ION MODE/Peak Height
Tetralin_2
ME113720
Tetralin
2.41
133.0998
NEGATIVE ION MODE/Peak Height
2,3,5-Trihydroxytoluene
ME111011
2,3,5-Trihydroxytoluene
2.10
141.0545
POSITIVE ION MODE/Peak Area
3-Hydroxyanthranilate_1
ME111065
3-Hydroxyanthranilic acid
1.51
154.0479
POSITIVE ION MODE/Peak Area
3-Hydroxyanthranilate_2
ME111066
3-Hydroxyanthranilic acid
5.13
154.0502
POSITIVE ION MODE/Peak Area
3-Sulfocatechol
ME111076
3-Sulfocatechol
1.87
191.0000
POSITIVE ION MODE/Peak Area
3-tert-Butyl-5-methylcatechol_1
ME111079
3-tert-Butyl-5-methylcatechol
10.06
181.1224
POSITIVE ION MODE/Peak Area
3-tert-Butyl-5-methylcatechol_2
ME111080
3-tert-Butyl-5-methylcatechol
14.37
181.1224
POSITIVE ION MODE/Peak Area
4-Cumylphenol
ME111089
4-Cumylphenol
12.70
213.1275
POSITIVE ION MODE/Peak Area
5-Nitro-ortho-anisidine
ME111132
2-Methoxy-5-nitroaniline
0.81
169.0588
POSITIVE ION MODE/Peak Area
5-Sulfosalicylate_1
ME111135
5-Sulfosalicylic acid
3.93
218.9947
POSITIVE ION MODE/Peak Area
5-Sulfosalicylate_2
ME111136
5-Sulfosalicylic acid
2.28
218.9955
POSITIVE ION MODE/Peak Area
5-Sulfosalicylate_3
ME111137
5-Sulfosalicylic acid
4.31
218.9950
POSITIVE ION MODE/Peak Area
Anthranilate
ME111178
2-Aminobenzoic acid
7.39
138.0551
POSITIVE ION MODE/Peak Area
Benzoyl phosphate
ME111200
Benzoyl phosphate
2.29
203.0119
POSITIVE ION MODE/Peak Area
Benzyl 2-methyl-3-oxobutanoate
ME111201
Benzyl 2-methyl-3-oxobutanoate
6.27
207.1022
POSITIVE ION MODE/Peak Area
Buclizine
ME111212
Buclizine
11.37
433.2410
POSITIVE ION MODE/Peak Area
CCCP
ME111226
CCCP
1.35
205.0289
POSITIVE ION MODE/Peak Area
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
ME111231
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.19
189.0914
POSITIVE ION MODE/Peak Area
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
ME111232
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.29
189.0916
POSITIVE ION MODE/Peak Area
Felbamate
ME111298
Felbamate
5.39
239.1029
POSITIVE ION MODE/Peak Area
Ferimzone
ME111300
Ferimzone
10.05
255.1590
POSITIVE ION MODE/Peak Area
Fexofenadine
ME111304
Fexofenadine
11.74
502.2950
POSITIVE ION MODE/Peak Area
Ketoprofen
ME111353
Ketoprofen
11.02
255.1031
POSITIVE ION MODE/Peak Area
Mandelonitrile
ME111418
2-Hydroxy-2-phenylacetonitrile
7.42
134.0603
POSITIVE ION MODE/Peak Area
Phenylethyl alcohol_1
ME111514
2-Phenylethanol
9.20
123.0810
POSITIVE ION MODE/Peak Area
Phenylethyl alcohol_2
ME111515
2-Phenylethanol
5.27
123.0810
POSITIVE ION MODE/Peak Area
Propofol
ME111531
Propofol
12.98
179.1431
POSITIVE ION MODE/Peak Area
Tetralin_1
ME111591
Tetralin
2.72
133.0997
POSITIVE ION MODE/Peak Area
Tetralin_2
ME111592
Tetralin
2.42
133.0998
POSITIVE ION MODE/Peak Area
2,3,5-Trihydroxytoluene
ME112414
2,3,5-Trihydroxytoluene
2.10
141.0545
POSITIVE ION MODE/Peak Height
3-Hydroxyanthranilate_1
ME112468
3-Hydroxyanthranilic acid
1.51
154.0479
POSITIVE ION MODE/Peak Height
3-Hydroxyanthranilate_2
ME112469
3-Hydroxyanthranilic acid
5.13
154.0502
POSITIVE ION MODE/Peak Height
3-Sulfocatechol
ME112479
3-Sulfocatechol
1.87
191.0000
POSITIVE ION MODE/Peak Height
3-tert-Butyl-5-methylcatechol_1
ME112482
3-tert-Butyl-5-methylcatechol
10.06
181.1224
POSITIVE ION MODE/Peak Height
3-tert-Butyl-5-methylcatechol_2
ME112483
3-tert-Butyl-5-methylcatechol
14.37
181.1224
POSITIVE ION MODE/Peak Height
4-Cumylphenol
ME112492
4-Cumylphenol
12.70
213.1275
POSITIVE ION MODE/Peak Height
5-Nitro-ortho-anisidine
ME112535
2-Methoxy-5-nitroaniline
0.81
169.0588
POSITIVE ION MODE/Peak Height
5-Sulfosalicylate_1
ME112538
5-Sulfosalicylic acid
3.93
218.9947
POSITIVE ION MODE/Peak Height
5-Sulfosalicylate_2
ME112539
5-Sulfosalicylic acid
2.28
218.9955
POSITIVE ION MODE/Peak Height
5-Sulfosalicylate_3
ME112540
5-Sulfosalicylic acid
4.31
218.9950
POSITIVE ION MODE/Peak Height
Anthranilate
ME112581
2-Aminobenzoic acid
7.39
138.0551
POSITIVE ION MODE/Peak Height
Benzoyl phosphate
ME112603
Benzoyl phosphate
2.29
203.0119
POSITIVE ION MODE/Peak Height
Benzyl 2-methyl-3-oxobutanoate
ME112604
Benzyl 2-methyl-3-oxobutanoate
6.27
207.1022
POSITIVE ION MODE/Peak Height
Buclizine
ME112615
Buclizine
11.37
433.2410
POSITIVE ION MODE/Peak Height
CCCP
ME112629
CCCP
1.35
205.0289
POSITIVE ION MODE/Peak Height
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1
ME112634
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.19
189.0914
POSITIVE ION MODE/Peak Height
cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2
ME112635
(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol
10.29
189.0916
POSITIVE ION MODE/Peak Height
Felbamate
ME112701
Felbamate
5.39
239.1029
POSITIVE ION MODE/Peak Height
Ferimzone
ME112703
Ferimzone
10.05
255.1590
POSITIVE ION MODE/Peak Height
Fexofenadine
ME112707
Fexofenadine
11.74
502.2950
POSITIVE ION MODE/Peak Height
Ketoprofen
ME112756
Ketoprofen
11.02
255.1031
POSITIVE ION MODE/Peak Height
Mandelonitrile
ME112821
2-Hydroxy-2-phenylacetonitrile
7.42
134.0603
POSITIVE ION MODE/Peak Height
Phenylethyl alcohol_1
ME112917
2-Phenylethanol
9.20
123.0810
POSITIVE ION MODE/Peak Height
Phenylethyl alcohol_2
ME112918
2-Phenylethanol
5.27
123.0810
POSITIVE ION MODE/Peak Height
Propofol
ME112934
Propofol
12.98
179.1431
POSITIVE ION MODE/Peak Height
Tetralin_1
ME112994
Tetralin
2.72
133.0997
POSITIVE ION MODE/Peak Height
Tetralin_2
ME112995
Tetralin
2.42
133.0998
POSITIVE ION MODE/Peak Height
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