Exact Mass: 189.9945

Exact Mass Matches: 189.9945

Found 51 metabolites which its exact mass value is equals to given mass value 189.9945, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

4-Sulfocatechol

3,4-dihydroxybenzenesulfonic acid

C6H6O5S (189.9936)


   

3-Sulfocatechol

2,3-Dihydroxybenzenesulfonic acid

C6H6O5S (189.9936)


   

Catechol sulfate

(2-hydroxyphenyl) hydrogen sulfate

C6H6O5S (189.9936)


Pyrocatechol sulfate, also known as 1,2-benzenediol mono(hydrogen sulfate) and 2-aminophenol sulfate, is classified as a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Pyrocatechol sulfate is considered to be slightly soluble (in water) and an extremely strong acidic compound. Pyrocatechol sulfate is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 27805021). Pyrocatechol sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4918-96-1 (retrieved 2024-10-16) (CAS RN: 4918-96-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Hydroquinone sulfate

1,4-Benzenediol, mono(hydrogen sulphuric acid)

C6H6O5S (189.9936)


Hydroquinone sulfate, also known as quinol sulfate, is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group.

   

2,5-Dihydroxybenzenesulfonic Acid

Altana pharma oranienburg brand OF calcium dobesilate monohydrate

C6H6O5S (189.9936)


D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics

   

Resorcinol sulfate

(3-hydroxyphenyl)oxidanesulfonic acid

C6H6O5S (189.9936)


   

5-Chloro-4-fluoro-2-nitroaniline

5-Chloro-4-fluoro-2-nitroaniline

C6H4ClFN2O2 (189.9945)


   

Hydroquinone sulfate

(4-hydroxyphenyl)oxidanesulfonic acid

C6H6O5S (189.9936)


A benzenediol comprising benzene core carrying two hydroxy substituents para to each other. Hydroquinone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=123-31-9 (retrieved 2024-07-16) (CAS RN: 123-31-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

dichloroxylenol

2,4-Dichloro-3,5-dimethylphenol

C8H8Cl2O (189.9952)


CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5208; ORIGINAL_PRECURSOR_SCAN_NO 5206 C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5172; ORIGINAL_PRECURSOR_SCAN_NO 5171 CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5196; ORIGINAL_PRECURSOR_SCAN_NO 5194 CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5242; ORIGINAL_PRECURSOR_SCAN_NO 5240 CONFIDENCE standard compound; INTERNAL_ID 1054; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5227; ORIGINAL_PRECURSOR_SCAN_NO 5226

   

Dobesilic acid

2,5-Dihydroxybenzenesulfonate

C6H6O5S (189.9936)


D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 898; ORIGINAL_PRECURSOR_SCAN_NO 897 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 907; ORIGINAL_PRECURSOR_SCAN_NO 905 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 894; ORIGINAL_PRECURSOR_SCAN_NO 893 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 903; ORIGINAL_PRECURSOR_SCAN_NO 902 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 895; ORIGINAL_PRECURSOR_SCAN_NO 894 CONFIDENCE standard compound; INTERNAL_ID 1355; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 917; ORIGINAL_PRECURSOR_SCAN_NO 916

   

Pyrocatechol sulfate

Pyrocatechol sulfate

C6H6O5S (189.9936)


An aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group.

   

Quinol sulfate

Quinol sulfate

C6H6O5S (189.9936)


An aryl sulfate that is quinol (hydroquinone) with one of the two hydroxy groups substituted by a sulfo group.

   

2-(2,3-Dichlorophenyl)ethanol

2-(2,3-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

1-(3,4-Dichlorophenyl)ethanol

1-(3,4-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

2,6-Dichloro-3,4-dimethylphenol

2,6-Dichloro-3,4-dimethylphenol

C8H8Cl2O (189.9952)


   

1-(2,4-Dichlorophenyl)ethanol

1-(2,4-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

(R)-2-CHLORO-1-(3-CHLOROPHENYL)ETHANOL

(R)-2-CHLORO-1-(3-CHLOROPHENYL)ETHANOL

C8H8Cl2O (189.9952)


   

2-Chloro-5-fluoro-4-methyl-3-nitropyridine

2-Chloro-5-fluoro-4-methyl-3-nitropyridine

C6H4ClFN2O2 (189.9945)


   

2-CHLORO-1-(3-CHLORO-PHENYL)-ETHANOL

2-CHLORO-1-(3-CHLORO-PHENYL)-ETHANOL

C8H8Cl2O (189.9952)


   

1-(2,6-dichlorophenyl)ethanol

1-(2,6-dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

2-CHLORO-2-(3-CHLORO-PHENYL)-ETHANOL

2-CHLORO-2-(3-CHLORO-PHENYL)-ETHANOL

C8H8Cl2O (189.9952)


   

(2,6-Dichloro-3-methylphenyl)methanol

(2,6-Dichloro-3-methylphenyl)methanol

C8H8Cl2O (189.9952)


   

1-(2,5-Dichlorophenyl)ethanol

1-(2,5-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

4-Chloro-2-fluoro-5-nitroaniline

4-Chloro-2-fluoro-5-nitroaniline

C6H4ClFN2O2 (189.9945)


   

2,5-Cyclohexadien-1-one,4-(dichloromethyl)-4-methyl-

2,5-Cyclohexadien-1-one,4-(dichloromethyl)-4-methyl-

C8H8Cl2O (189.9952)


   

2-(2,4-dichlorophenyl)ethanol

2-(2,4-dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

1-Chloro-3-(chloromethyl)-5-methoxybenzene

1-Chloro-3-(chloromethyl)-5-methoxybenzene

C8H8Cl2O (189.9952)


   

2-(2,6-Dichlorophenyl)ethanol

2-(2,6-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

4-Chloro-2-(chloromethyl)-1-methoxybenzene

4-Chloro-2-(chloromethyl)-1-methoxybenzene

C8H8Cl2O (189.9952)


   

Benzene,2,4-dichloro-1-ethoxy-

Benzene,2,4-dichloro-1-ethoxy-

C8H8Cl2O (189.9952)


   

2,6-dichlorobenzyl methyl ether

2,6-dichlorobenzyl methyl ether

C8H8Cl2O (189.9952)


   

5-Methoxy-2,3-dichlorotoluene

5-Methoxy-2,3-dichlorotoluene

C8H8Cl2O (189.9952)


   

2-(3,5-Dichlorophenyl)ethanol

2-(3,5-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

2-(3,4-Dichlorophenyl)ethanol

2-(3,4-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)


   

2-(4-Chlorophenoxy)ethylchloride

2-(4-Chlorophenoxy)ethylchloride

C8H8Cl2O (189.9952)


   

2-CHLORO-2-(4-CHLORO-PHENYL)-ETHANOL

2-CHLORO-2-(4-CHLORO-PHENYL)-ETHANOL

C8H8Cl2O (189.9952)


   

2-CHLORO-1-(4-CHLORO-PHENYL)-ETHANOL

2-CHLORO-1-(4-CHLORO-PHENYL)-ETHANOL

C8H8Cl2O (189.9952)


   

4-Chloro-5-fluoro-2-nitroaniline

4-Chloro-5-fluoro-2-nitroaniline

C6H4ClFN2O2 (189.9945)


   

2-Amino-3-chloro-4-fluoronitrobenzene

2-Amino-3-chloro-4-fluoronitrobenzene

C6H4ClFN2O2 (189.9945)


   

2-CHLORO-5-FLUORO-4-NITROANILINE

2-CHLORO-5-FLUORO-4-NITROANILINE

C6H4ClFN2O2 (189.9945)


   

2,4-dihydroxybenzenesulfonic Acid

2,4-dihydroxybenzenesulfonic Acid

C6H6O5S (189.9936)


A dihydroxybenzenesulfonic acid that is resorcinol in which a hydrogen para- to one of the hydroxy groups is replaced by a sulfonic acid group.

   

2,6-Dihydroxybenzenesulfonic acid

2,6-Dihydroxybenzenesulfonic acid

C6H6O5S (189.9936)


A dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen ortho- to both of the hydroxy groups is replaced by a sulfonic acid group.

   

3,5-Dihydroxybenzenesulfonic acid

3,5-Dihydroxybenzenesulfonic acid

C6H6O5S (189.9936)


A dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen meta- to both of the hydroxy groups is replaced by a sulfonic acid group.

   

2,2-Dichloro-1-phenylethanol

2,2-Dichloro-1-phenylethanol

C8H8Cl2O (189.9952)


   

3,4-dihydroxybenzenesulfonic acid

3,4-dihydroxybenzenesulfonic acid

C6H6O5S (189.9936)


A benzene ring substituted with a sulphonic acid group at position C-1, and hydroxy groups at C-3 and C-4.

   

2,3-Dihydroxybenzenesulfonic acid

2,3-Dihydroxybenzenesulfonic acid

C6H6O5S (189.9936)


A dihydroxybenzenesulfonic acid in which the hydroxy groups are located at positions 2 and 3.

   

Resorcinol sulfate

Resorcinol sulfate

C6H6O5S (189.9936)


   

2,5-Dihydroxybenzenesulfonic Acid

2,5-Dihydroxybenzenesulfonic Acid

C6H6O5S (189.9936)


A dihydroxybenzenesulfonic acid that is hydroquinone in which one of the phenyl hydrogens is substituted by a sulfonic acid group.

   

Sulfocatechol

Sulfocatechol

C6H6O5S (189.9936)


   

Dihydroxybenzenesulfonic acid

Dihydroxybenzenesulfonic acid

C6H6O5S (189.9936)


   

Pyrocatechol sulfate

(2-hydroxyphenyl)oxidanesulfonic acid

C6H6O5S (189.9936)


new metabolite created