Exact Mass: 247.991

Exact Mass Matches: 247.991

Found 103 metabolites which its exact mass value is equals to given mass value 247.991, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2,4-DB

4-(2,4-Dichlorophenoxy)butanoic acid

C10H10Cl2O3 (248.0007)


   

Vanillic acid 4-O-sulfate

3-Methoxy-4-(sulphooxy)benzoic acid

C8H8O7S (247.9991)


Vanillic acid 4-O-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Vanillic acid 4-O-sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).

   

2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid

2-[4-Hydroxy-3-(sulphooxy)phenyl]acetic acid

C8H8O7S (247.9991)


2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)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.

   

4-methoxy-3-(sulfooxy)benzoic acid

4-Methoxy-3-(sulphooxy)benzoic acid

C8H8O7S (247.9991)


4-methoxy-3-(sulfooxy)benzoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-hydroxy-4-methoxybenzoic 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.

   

Arctic acid

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

C12H8O2S2 (247.9966)


Arctic acid, also known as arctate, 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. Arctic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Arctic acid can be found in burdock, which makes arctic acid a potential biomarker for the consumption of this food product.

   

Calcium galactarate

calcium (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate

C6H8CaO8 (247.9845)


Potential cause of turbidity in mucic acid rich wines. Calcium galactarate is found in alcoholic beverages.

   

Dihydroxyphenylacetic acid sulfate

Dihydroxyphenylacetic acid sulphuric acid

C8H8O7S (247.9991)


   

Thiourea, N-(3,5-dichlorophenyl)-N-ethyl-

Thiourea, N-(3,5-dichlorophenyl)-N-ethyl-

C9H10Cl2N2S (247.9942)


   

3-Bromo-7-chloromyrcene

3-Bromo-7-chloromyrcene

C10H14BrCl (247.9967)


   

5-(1-propynyl)-2,2-bithienyl-5-carboxylic acid|Arctic acid

5-(1-propynyl)-2,2-bithienyl-5-carboxylic acid|Arctic acid

C12H8O2S2 (247.9966)


   

(10Z)-10-bromo-3-chloro-alpha-myrcene|(E)-10-Bromo-3-chloro-alpha-myrcen|6-(Z)-bromomethylene-3-chloro-2-methyl-octa-1,7-diene

(10Z)-10-bromo-3-chloro-alpha-myrcene|(E)-10-Bromo-3-chloro-alpha-myrcen|6-(Z)-bromomethylene-3-chloro-2-methyl-octa-1,7-diene

C10H14BrCl (247.9967)


   

3-(Z)-bromomethylene-2-chloro-7-methyl-octa-1,6-diene

3-(Z)-bromomethylene-2-chloro-7-methyl-octa-1,6-diene

C10H14BrCl (247.9967)


   
   
   

5-Methoxysalicylic acid sulfate

5-Methoxysalicylic acid sulfate

C8H8O7S (247.9991)


   

Vanillic acid 4-sulfate

3-Methoxy-4-(sulfooxy)benzoic acid

C8H8O7S (247.9991)


   

Pyrimidine,5-(4-bromophenyl)-2-methyl-(9CI)

Pyrimidine,5-(4-bromophenyl)-2-methyl-(9CI)

C11H9BrN2 (247.9949)


   

2,9-Dichloro-1,10-phenanthroline

2,9-Dichloro-1,10-phenanthroline

C12H6Cl2N2 (247.9908)


   

methyl 4-chloro-3-methylsulfonylbenzoate

methyl 4-chloro-3-methylsulfonylbenzoate

C9H9ClO4S (247.991)


   

3,5-dichloro-4-propoxybenzoic acid

3,5-dichloro-4-propoxybenzoic acid

C10H10Cl2O3 (248.0007)


   

4-(4-Bromophenyl)-2-methylpyrimidine

4-(4-Bromophenyl)-2-methylpyrimidine

C11H9BrN2 (247.9949)


   

2-Iodo-4-dimethylaminopyridine

2-Iodo-4-dimethylaminopyridine

C7H9IN2 (247.981)


   

4-bromodiphenyl ether

1-Bromo-4-phenoxybenzene

C12H9BrO (247.9837)


   

4-bromo-1-(dimethoxymethyl)-2-fluorobenzene

4-bromo-1-(dimethoxymethyl)-2-fluorobenzene

C9H10BrFO2 (247.9848)


   

3-BROMO-4-FLUOROBENZALDEHYDE DIMETHYL ACETAL

3-BROMO-4-FLUOROBENZALDEHYDE DIMETHYL ACETAL

C9H10BrFO2 (247.9848)


   

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde

C9H4ClF3N2O (247.9964)


   

6-NITRO-2-(TRIFLUOROMETHYL)BENZOTHIAZOLE

6-NITRO-2-(TRIFLUOROMETHYL)BENZOTHIAZOLE

C8H3F3N2O2S (247.9867)


   

2-CHLORO-6-(4-CHLOROPHENYL)NICOTINONITRILE

2-CHLORO-6-(4-CHLOROPHENYL)NICOTINONITRILE

C12H6Cl2N2 (247.9908)


   

o-methoxycarbonyl benzyl sulfonyl chloride

o-methoxycarbonyl benzyl sulfonyl chloride

C9H9ClO4S (247.991)


   

4-(3-bromophenyl)-2-methylpyrimidine

4-(3-bromophenyl)-2-methylpyrimidine

C11H9BrN2 (247.9949)


   

4-bromo-2-(dimethoxymethyl)-1-fluorobenzene

4-bromo-2-(dimethoxymethyl)-1-fluorobenzene

C9H10BrFO2 (247.9848)


   

1-bromo-2-(dimethoxymethyl)-4-fluorobenzene

1-bromo-2-(dimethoxymethyl)-4-fluorobenzene

C9H10BrFO2 (247.9848)


   

3,5-DICHLORO-4-HYDROXYBENZOIC ACID PROPYL ESTER

3,5-DICHLORO-4-HYDROXYBENZOIC ACID PROPYL ESTER

C10H10Cl2O3 (248.0007)


   

5-Bromo-N-phenyl-2-pyridinamine

5-Bromo-N-phenyl-2-pyridinamine

C11H9BrN2 (247.9949)


   

ethyl 2-(2,5-dichlorophenoxy)acetate

ethyl 2-(2,5-dichlorophenoxy)acetate

C10H10Cl2O3 (248.0007)


   

6-chloro-4-(trifluoromethyl)-3H-quinazolin-2-one

6-chloro-4-(trifluoromethyl)-3H-quinazolin-2-one

C9H4ClF3N2O (247.9964)


   

3-(4-(CHLOROSULFONYL)PHENYL)PROPANOIC ACID

3-(4-(CHLOROSULFONYL)PHENYL)PROPANOIC ACID

C9H9ClO4S (247.991)


   

4-(2-bromoanilino)pyridine

4-(2-bromoanilino)pyridine

C11H9BrN2 (247.9949)


   

4-Chloro-7-(trifluoromethoxy)quinazoline

4-Chloro-7-(trifluoromethoxy)quinazoline

C9H4ClF3N2O (247.9964)


   

2-chloro-5-(4-chlorophenyl)pyridine-3-carbonitrile

2-chloro-5-(4-chlorophenyl)pyridine-3-carbonitrile

C12H6Cl2N2 (247.9908)


   

4,7-Dichloro-1,10-phenanthroline

4,7-Dichloro-1,10-phenanthroline

C12H6Cl2N2 (247.9908)


   

4-CHLOROBENZYLSULFONYLACETIC ACID

4-CHLOROBENZYLSULFONYLACETIC ACID

C9H9ClO4S (247.991)


   

5-iodo-4,6-dimethylpyridin-2-amine

5-iodo-4,6-dimethylpyridin-2-amine

C7H9IN2 (247.981)


   

6-Chloro-2-(trifluoromethyl)quinazolin-4(3H)-one

6-Chloro-2-(trifluoromethyl)quinazolin-4(3H)-one

C9H4ClF3N2O (247.9964)


   

6-bromo-2-phenylpyridin-3-amine

6-bromo-2-phenylpyridin-3-amine

C11H9BrN2 (247.9949)


   

2-cyclopropyl-4-iodo-1-methylimidazole

2-cyclopropyl-4-iodo-1-methylimidazole

C7H9IN2 (247.981)


   

4-Bromo-[1,1-biphenyl]-4-ol

4-Bromo-[1,1-biphenyl]-4-ol

C12H9BrO (247.9837)


   

3,5-DICHLORO-4-METHOXYBENZOIC ACID ETHYL ESTER

3,5-DICHLORO-4-METHOXYBENZOIC ACID ETHYL ESTER

C10H10Cl2O3 (248.0007)


   

5-BROMO-4-(P-TOLYL)PYRIMIDINE

5-BROMO-4-(P-TOLYL)PYRIMIDINE

C11H9BrN2 (247.9949)


   

2-(2,4-dichlorophenoxy)-2-methyl-propanoic acid

2-(2,4-dichlorophenoxy)-2-methyl-propanoic acid

C10H10Cl2O3 (248.0007)


   

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

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

C9H10BrFO2 (247.9848)


   

3-IODO-4-AMINO-2,6-DIMETHYLPYRIDINE

3-IODO-4-AMINO-2,6-DIMETHYLPYRIDINE

C7H9IN2 (247.981)


   

2-(3,5-Dichlorophenoxy)-2-methylpropanoic acid

2-(3,5-Dichlorophenoxy)-2-methylpropanoic acid

C10H10Cl2O3 (248.0007)


   

3-BROMO-5-PHENYLPYRIDIN-2-AMINE

3-BROMO-5-PHENYLPYRIDIN-2-AMINE

C11H9BrN2 (247.9949)


   

5-Iodo-3-methyl-2-methylaminopyridine

5-Iodo-3-methyl-2-methylaminopyridine

C7H9IN2 (247.981)


   

2-Bromo-1-(2-naphthyl)ethanone

2-Bromo-1-(2-naphthyl)ethanone

C12H9BrO (247.9837)


   

Ethyl 2,4-dichlorophenoxyacetate

Ethyl 2,4-dichlorophenoxyacetate

C10H10Cl2O3 (248.0007)


   

1-Bromo-3-phenoxybenzene

1-Bromo-3-phenoxybenzene

C12H9BrO (247.9837)


   

2-Chloro-1,4-bis(trifluoromethyl)benzene

2-Chloro-1,4-bis(trifluoromethyl)benzene

C8H3ClF6 (247.9827)


   

Methyl 2-(chlorosulfonyl)-3-methylbenzoate

Methyl 2-(chlorosulfonyl)-3-methylbenzoate

C9H9ClO4S (247.991)


   

1,4-dichlorobenzo[g]phthalazine

1,4-dichlorobenzo[g]phthalazine

C12H6Cl2N2 (247.9908)


   

ethyl 2-(2,6-dichlorophenoxy)acetate

ethyl 2-(2,6-dichlorophenoxy)acetate

C10H10Cl2O3 (248.0007)


   

2,4-bis(trifluoromethyl)chlorobenzene

2,4-bis(trifluoromethyl)chlorobenzene

C8H3ClF6 (247.9827)


   

2-BROMO-1-(NAPHTHALEN-1-YL)ETHANONE

2-BROMO-1-(NAPHTHALEN-1-YL)ETHANONE

C12H9BrO (247.9837)


   

1-(4-bromonaphthalen-1-yl)ethanone

1-(4-bromonaphthalen-1-yl)ethanone

C12H9BrO (247.9837)


   

4-Bromo-2-biphenylol

4-Bromo-2-biphenylol

C12H9BrO (247.9837)


   

lead cyanamide

lead cyanamide

CN2Pb (247.9828)


   

CalciuM Saccharate

D-Glucaric acid,calcium salt (1:1)

C6H8CaO8 (247.9845)


C471 - Enzyme Inhibitor > C1017 - Glucuronidase Inhibitor

   

N-(2,2-DIMETHOXYETHYL)TRICHLOROACETAMIDINE

N-(2,2-DIMETHOXYETHYL)TRICHLOROACETAMIDINE

C6H11Cl3N2O2 (247.9886)


   

3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonyl chloride

3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonyl chloride

C9H9ClO4S (247.991)


   

5-Bromo-4-(o-tolyl)pyrimidine

5-Bromo-4-(o-tolyl)pyrimidine

C11H9BrN2 (247.9949)


   

Potassium bisaccharate

Potassium bisaccharate

C6H9KO8 (247.9934)


D-Glucaric acid potassium (Potassium D-glucarate) is an endogenous metabolite.

   

2-Acetyl-6-bromonaphthalene

2-Acetyl-6-bromonaphthalene

C12H9BrO (247.9837)


   

3-(4-chlorophenyl)sulfonylpropanoic acid

3-(4-chlorophenyl)sulfonylpropanoic acid

C9H9ClO4S (247.991)


   

methyl 4-(chlorosulfonylmethyl)benzoate

methyl 4-(chlorosulfonylmethyl)benzoate

C9H9ClO4S (247.991)


   

3-TRIFLUOROMETHANESULFONYLOXY-BUT-2-ENOIC ACID METHYL ESTER

3-TRIFLUOROMETHANESULFONYLOXY-BUT-2-ENOIC ACID METHYL ESTER

C6H7F3O5S (247.9966)


   

2-Chloro-1,3-bis(trifluoromethyl)benzene

2-Chloro-1,3-bis(trifluoromethyl)benzene

C8H3ClF6 (247.9827)


   

Butanoic acid,2-(2,4-dichlorophenoxy)-

Butanoic acid,2-(2,4-dichlorophenoxy)-

C10H10Cl2O3 (248.0007)


   

1-Chloro-3,5-bis(trifluoromethyl)benzene

1-Chloro-3,5-bis(trifluoromethyl)benzene

C8H3ClF6 (247.9827)


   

1-Bromo-2-phenoxybenzene

1-Bromo-2-phenoxybenzene

C12H9BrO (247.9837)


   

Sulfonyloxydihydroxyphenylacetic acid

Sulfonyloxydihydroxyphenylacetic acid

C8H8O7S (247.9991)


   

2,4-Dichlorophenoxybutyric acid

4-(2,4-Dichlorophenoxy)butanoic acid

C10H10Cl2O3 (248.0007)


   

Arctic acid

5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carboxylic acid

C12H8O2S2 (247.9966)


   

[(2S,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate

[(2S,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate

C5H10ClO7P (247.9853)


   

2,4-dihydroxyacetophenone-5-O-sulfate

2,4-dihydroxyacetophenone-5-O-sulfate

C8H8O7S (247.9991)


An acetophenone substituted by hydroxy groups at positions 2 and 4, and by a sulfooxy group at position 5. It is a metabolite of the Chinese medicine Shuangdan granule.

   

4-methoxy-3-(sulfooxy)benzoic acid

4-methoxy-3-(sulfooxy)benzoic acid

C8H8O7S (247.9991)


   

2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid

2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid

C8H8O7S (247.9991)


   

dichlorophenoxy)butanoic acid

dichlorophenoxy)butanoic acid

C10H10Cl2O3 (248.0007)


   

3,4-Dihydroxyphenylacetate sulfate

3,4-Dihydroxyphenylacetate sulfate

C8H8O7S (247.9991)


   

(3r,6z)-6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene

(3r,6z)-6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene

C10H14BrCl (247.9967)


   

2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene

2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene

C10H14BrCl (247.9967)


   

4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohex-1-ene

4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohex-1-ene

C10H14BrCl (247.9967)


   

6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene

6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene

C10H14BrCl (247.9967)


   

2,3,5-tris(methylsulfanyl)benzene-1,4-diol

2,3,5-tris(methylsulfanyl)benzene-1,4-diol

C9H12O2S3 (247.9999)


   

(6z)-6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene

(6z)-6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene

C10H14BrCl (247.9967)


   

3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene

3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene

C10H14BrCl (247.9967)


   

4-hydroxy-3-methoxy-5-sulfobenzoic acid

4-hydroxy-3-methoxy-5-sulfobenzoic acid

C8H8O7S (247.9991)


   

(3e)-2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene

(3e)-2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene

C10H14BrCl (247.9967)


   

(3z)-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene

(3z)-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene

C10H14BrCl (247.9967)


   

(3e)-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene

(3e)-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene

C10H14BrCl (247.9967)


   

6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene

6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene

C10H14BrCl (247.9967)


   

(4r,6s)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohex-1-ene

(4r,6s)-4-bromo-6-chloro-1-ethenyl-5,5-dimethylcyclohex-1-ene

C10H14BrCl (247.9967)