Exact Mass: 231.996

Exact Mass Matches: 231.996

Found 85 metabolites which its exact mass value is equals to given mass value 231.996, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Chlorfenprop-methyl

Chlorfenprop-methyl

C10H10Cl2O2 (232.0058)


   

2,4-Dihydroxyacetophenone 5-sulfate

(2-Acetyl-5-hydroxyphenyl)oxidanesulphonic acid

C8H8O6S (232.0042)


2,4-Dihydroxyacetophenone 5-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

Vanillin 4-sulfate

(4-Formyl-2-methoxyphenyl)oxidanesulphonic acid

C8H8O6S (232.0042)


Vanillin 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

2-[3-(sulfooxy)phenyl]acetic acid

2-[3-(Sulphooxy)phenyl]acetic acid

C8H8O6S (232.0042)


2-[3-(sulfooxy)phenyl]acetic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3-hydroxyphenyl)acetic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.

   

2-[4-(sulfooxy)phenyl]acetic acid

2-[4-(Sulphooxy)phenyl]acetic acid

C8H8O6S (232.0042)


2-[4-(sulfooxy)phenyl]acetic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(4-hydroxyphenyl)acetic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.

   

Methyl-4-hydroxybenzoate sulfate

[4-(methoxycarbonyl)phenyl]oxidanesulfonic acid

C8H8O6S (232.0042)


Methyl-4-hydroxybenzoate sulfate belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Methyl-4-hydroxybenzoate sulfate has been identified in the human placenta (PMID: 32033212).

   

2-Hydroxyphenylacetic acid sulfate

2-Hydroxyphenylacetic acid sulphuric acid

C8H8O6S (232.0042)


   

Arctinal

5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophene-2-carbaldehyde

C12H8OS2 (232.0017)


Arctinal is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Arctinal can be found in burdock, which makes arctinal a potential biomarker for the consumption of this food product.

   

4-Hydroxyphenylacetic acid sulfate

4-Hydroxyphenylacetic acid sulphuric acid

C8H8O6S (232.0042)


   

2-Aethinyl-5-<4-hydroxy-4,5-dihydro-thienyl-(2)-aethinyl>-thiophen|5-(5-ethynyl-thiophen-2-ylethynyl)-2,3-dihydro-thiophen-3-ol|5-[5-(Ethynyl-2-thienyl)ethynyl(2,3-dihydrothiophene-3-ol

2-Aethinyl-5-<4-hydroxy-4,5-dihydro-thienyl-(2)-aethinyl>-thiophen|5-(5-ethynyl-thiophen-2-ylethynyl)-2,3-dihydro-thiophen-3-ol|5-[5-(Ethynyl-2-thienyl)ethynyl(2,3-dihydrothiophene-3-ol

C12H8OS2 (232.0017)


   

2-(benzyltrisulfanyl)ethanol

2-(benzyltrisulfanyl)ethanol

C9H12OS3 (232.005)


   

3-[4-(2-Furanyl)-3-buten-1-ynyl]-1, 2-dithiin

3-[4-(2-Furanyl)-3-buten-1-ynyl]-1, 2-dithiin

C12H8OS2 (232.0017)


   

Ketone-alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol

Ketone-alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol

C12H8OS2 (232.0017)


   

SCHEMBL7722711

SCHEMBL7722711

C8H8O6S (232.0042)


   

5-propynyl-2,2-bithienyl-5-carbaldehyde|5-propynyl-2,2-bithiophene-5-carbaldehyde|aphyllocladine|arctinal|Arctinol

5-propynyl-2,2-bithienyl-5-carbaldehyde|5-propynyl-2,2-bithiophene-5-carbaldehyde|aphyllocladine|arctinal|Arctinol

C12H8OS2 (232.0017)


   

Vanillin-4-sulfate

Vanillin-4-sulfate

C8H8O6S (232.0042)


   

Mandelic acid sulfate

Mandelic acid sulfate

C8H8O6S (232.0042)


   

3-Hydroxyphenylaceitic acid sulfate

3-Hydroxyphenylaceitic acid sulfate

C8H8O6S (232.0042)


   

2,4-Dihydroxyacetophenone 5-sulfate

(2-acetyl-5-hydroxyphenyl)oxidanesulfonic acid

C8H8O6S (232.0042)


   

4-BROMO-2-FLUORO-1-ISOPROPOXYBENZENE

4-BROMO-2-FLUORO-1-ISOPROPOXYBENZENE

C9H10BrFO (231.9899)


   

Phenol, 2,4-dichloro-3,5-dimethyl-, 1-acetate

Phenol, 2,4-dichloro-3,5-dimethyl-, 1-acetate

C10H10Cl2O2 (232.0058)


   

N-(4-chloro-5-nitro-6-oxo-3H-pyrimidin-2-yl)acetamide

N-(4-chloro-5-nitro-6-oxo-3H-pyrimidin-2-yl)acetamide

C6H5ClN4O4 (231.9999)


   

3,5-BIS-CHLOROMETHYL-4-METHYL-BENZOIC ACID

3,5-BIS-CHLOROMETHYL-4-METHYL-BENZOIC ACID

C10H10Cl2O2 (232.0058)


   

(1-Hydroxy-1-isopropylallyl)phosphonic acid diethyl ester

(1-Hydroxy-1-isopropylallyl)phosphonic acid diethyl ester

C12H9Br (231.9888)


   

3-Bromobiphenyl

3-Bromobiphenyl

C12H9Br (231.9888)


   

4-(2,5-dichlorophenyl)butanoic acid

4-(2,5-dichlorophenyl)butanoic acid

C10H10Cl2O2 (232.0058)


   

2,2-Dichlorophenylacetic acid ethyl ester

2,2-Dichlorophenylacetic acid ethyl ester

C10H10Cl2O2 (232.0058)


   

2-(4-Chlorophenoxy)-2-methylpropanoyl chloride

2-(4-Chlorophenoxy)-2-methylpropanoyl chloride

C10H10Cl2O2 (232.0058)


   

N1-(5-CHLORO-4-FLUORO-2-NITROPHENYL)ACETAMIDE

N1-(5-CHLORO-4-FLUORO-2-NITROPHENYL)ACETAMIDE

C8H6ClFN2O3 (232.0051)


   

2-(2-BROMO-4-FLUOROPHENOXY)PROPANE

2-(2-BROMO-4-FLUOROPHENOXY)PROPANE

C9H10BrFO (231.9899)


   

Benzene,1-(3-bromopropoxy)-4-fluoro-

Benzene,1-(3-bromopropoxy)-4-fluoro-

C9H10BrFO (231.9899)


   

2-Chloro-6-(trifluoromethyl)quinoxaline

2-Chloro-6-(trifluoromethyl)quinoxaline

C9H4ClF3N2 (232.0015)


   

1-(4-CHLORO-PHENYL)-1H-PYRAZOL-3-YLAMINE

1-(4-CHLORO-PHENYL)-1H-PYRAZOL-3-YLAMINE

C9H9ClO3S (231.9961)


   

3,6-Dihydro-2H-pyran-4-yl trifluoromethanesulfonate

3,6-Dihydro-2H-pyran-4-yl trifluoromethanesulfonate

C6H7F3O4S (232.0017)


   

2-Chloro-N-(2-fluoro-5-nitrophenyl)acetamide

2-Chloro-N-(2-fluoro-5-nitrophenyl)acetamide

C8H6ClFN2O3 (232.0051)


   

Ethyl chloro(2-chlorophenyl)acetate

Ethyl chloro(2-chlorophenyl)acetate

C10H10Cl2O2 (232.0058)


   

2-(THIOPHEN-2-YLTHIO)SUCCINIC ACID

2-(THIOPHEN-2-YLTHIO)SUCCINIC ACID

C8H8O4S2 (231.9864)


   

4-Chlorophenylsulfonylacetone

4-Chlorophenylsulfonylacetone

C9H9ClO3S (231.9961)


   

Benzeneacetic acid,2,4-dichloro-, ethyl ester

Benzeneacetic acid,2,4-dichloro-, ethyl ester

C10H10Cl2O2 (232.0058)


   

2-Bromobiphenyl

2-Bromobiphenyl

C12H9Br (231.9888)


   

1H-Pyrazole-5-carboxylicacid,4-bromo-1,3-dimethyl-,hydrazide(9CI)

1H-Pyrazole-5-carboxylicacid,4-bromo-1,3-dimethyl-,hydrazide(9CI)

C6H9BrN4O (231.996)


   

1-Bromo-2-fluoro-4-isopropoxybenzene

1-Bromo-2-fluoro-4-isopropoxybenzene

C9H10BrFO (231.9899)


   

6,7-Bis(chloromethyl)-2,3-dihydro-1,4-benzodioxin

6,7-Bis(chloromethyl)-2,3-dihydro-1,4-benzodioxin

C10H10Cl2O2 (232.0058)


   

heptyltrichlorosilane

heptyltrichlorosilane

C7H15Cl3Si (232.0009)


   

2-Chloro-7-(trifluoromethyl)quinoxaline

2-Chloro-7-(trifluoromethyl)quinoxaline

C9H4ClF3N2 (232.0015)


   

3,4-dihydro-2H-chromene-6-sulfonyl chloride

3,4-dihydro-2H-chromene-6-sulfonyl chloride

C9H9ClO3S (231.9961)


   

5-Bromo-1,2-dihydroacenaphthylene

5-Bromo-1,2-dihydroacenaphthylene

C12H9Br (231.9888)


   

4-Chloro-1,8-naphthalic anhydride

4-Chloro-1,8-naphthalic anhydride

C12H5ClO3 (231.9927)


   

1-Bromo-4-fluoro-2-isopropoxybenzene

1-Bromo-4-fluoro-2-isopropoxybenzene

C9H10BrFO (231.9899)


   

1-(5-bromo-2-fluorophenyl)propan-1-ol

1-(5-bromo-2-fluorophenyl)propan-1-ol

C9H10BrFO (231.9899)


   

4-Bromo-2-fluoro-1-propoxybenzene

4-Bromo-2-fluoro-1-propoxybenzene

C9H10BrFO (231.9899)


   

3,5-Dimethyl-2,6-bis(methylthio)-4H-thiopyran-4-one

3,5-Dimethyl-2,6-bis(methylthio)-4H-thiopyran-4-one

C9H12OS3 (232.005)


   

Dimethyl 3,4-dihydroxy-2,5-thiophenedicarboxylate

Dimethyl 3,4-dihydroxy-2,5-thiophenedicarboxylate

C8H8O6S (232.0042)


   

4-Chloro-2-(trifluoromethyl)quinazoline

4-Chloro-2-(trifluoromethyl)quinazoline

C9H4ClF3N2 (232.0015)


   

4-Bromobiphenyl

4-Bromobiphenyl

C12H9Br (231.9888)


   

2-CHLOROMETHYL-4,6-DINITROPHENOL

2-CHLOROMETHYL-4,6-DINITROPHENOL

C7H5ClN2O5 (231.9887)


   

4-(2-Bromoethyl)-2-fluoro-1-methoxybenzene

4-(2-Bromoethyl)-2-fluoro-1-methoxybenzene

C9H10BrFO (231.9899)


   

1-(3-Bromopropoxy)-2-fluorobenzene

1-(3-Bromopropoxy)-2-fluorobenzene

C9H10BrFO (231.9899)


   

1,3-Dioxolane,4-(chloromethyl)-2-(4-chlorophenyl)-

1,3-Dioxolane,4-(chloromethyl)-2-(4-chlorophenyl)-

C10H10Cl2O2 (232.0058)


   

4-Bromo-1-fluoro-2-(1-methylethoxy)-benzene

4-Bromo-1-fluoro-2-(1-methylethoxy)-benzene

C9H10BrFO (231.9899)


   

5-(5-CHLORO-2-THIENYL)-5-OXOVALERIC ACID

5-(5-CHLORO-2-THIENYL)-5-OXOVALERIC ACID

C9H9ClO3S (231.9961)


   

4-Chloro-6-(trifluoromethyl)quinazoline

4-Chloro-6-(trifluoromethyl)quinazoline

C9H4ClF3N2 (232.0015)


   

ETHYL 3,4-DICHLOROPHENYLACETATE

ETHYL 3,4-DICHLOROPHENYLACETATE

C10H10Cl2O2 (232.0058)


   

Ethyl 4-bromobenzoate D4

Ethyl 4-bromobenzoate D4

C9H5BrD4O2 (232.0037)


   

BENZENEACETIC ACID, 3,5-DICHLORO-, ETHYL ESTER

BENZENEACETIC ACID, 3,5-DICHLORO-, ETHYL ESTER

C10H10Cl2O2 (232.0058)


   

4-Chloro-7-(trifluoromethyl)quinazoline

4-Chloro-7-(trifluoromethyl)quinazoline

C9H4ClF3N2 (232.0015)


   

Chroman-8-sulfonyl chloride

Chroman-8-sulfonyl chloride

C9H9ClO3S (231.9961)


   

2-Chloro-3-(trifluoromethyl)quinoxaline

2-Chloro-3-(trifluoromethyl)quinoxaline

C9H4ClF3N2 (232.0015)


   

Sodium 4-Hydroxybenzenesulfonate Dihydrate

Sodium 4-Hydroxybenzenesulfonate Dihydrate

C6H9NaO6S (232.0018)


   

4-Formyl-2-methoxyphenyl hydrogen sulfate

4-Formyl-2-methoxyphenyl hydrogen sulfate

C8H8O6S (232.0042)


   
   

Crotyl diphosphate

Crotyl diphosphate

C4H10O7P2 (231.9902)


   

But-2-enyl phosphono hydrogen phosphate

But-2-enyl phosphono hydrogen phosphate

C4H10O7P2 (231.9902)


   

Tetrafluoroformamidine dimer

Tetrafluoroformamidine dimer

C2F8N4 (231.9995)


   

Methyl-4-hydroxybenzoate sulfate

Methyl-4-hydroxybenzoate sulfate

C8H8O6S (232.0042)


   

4-Hydroxyphenylacetic acid sulfate

4-Hydroxyphenylacetic acid sulfate

C8H8O6S (232.0042)


   

2-[4-(sulfooxy)phenyl]acetic acid

2-[4-(sulfooxy)phenyl]acetic acid

C8H8O6S (232.0042)


   

2-[3-(sulfooxy)phenyl]acetic acid

2-[3-(sulfooxy)phenyl]acetic acid

C8H8O6S (232.0042)


   

2-O-sulfate-4-hydroxyacetophenone

2-O-sulfate-4-hydroxyacetophenone

C8H8O6S (232.0042)


An acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4.

   

4-acetylcatechol sulfate

C8H8O6S (232.0042)


new metabolite created

   

2-[(1e)-4-(1,2-dithiin-3-yl)but-1-en-3-yn-1-yl]furan

2-[(1e)-4-(1,2-dithiin-3-yl)but-1-en-3-yn-1-yl]furan

C12H8OS2 (232.0017)


   

[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]oxysulfonic acid

[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]oxysulfonic acid

C8H8O6S (232.0042)


   

[2-(3,4-dihydroxyphenyl)ethenyl]oxysulfonic acid

[2-(3,4-dihydroxyphenyl)ethenyl]oxysulfonic acid

C8H8O6S (232.0042)


   

[(1z)-2-(3,4-dihydroxyphenyl)ethenyl]oxysulfonic acid

[(1z)-2-(3,4-dihydroxyphenyl)ethenyl]oxysulfonic acid

C8H8O6S (232.0042)


   

2-[4-(1,2-dithiin-3-yl)but-1-en-3-yn-1-yl]furan

2-[4-(1,2-dithiin-3-yl)but-1-en-3-yn-1-yl]furan

C12H8OS2 (232.0017)