Exact Mass: 189.9855272

Exact Mass Matches: 189.9855272

Found 91 metabolites which its exact mass value is equals to given mass value 189.9855272, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

4-Sulfocatechol

3,4-dihydroxybenzenesulfonic acid

C6H6O5S (189.9935946)


   

3-Sulfocatechol

2,3-Dihydroxybenzenesulfonic acid

C6H6O5S (189.9935946)


   

Catechol sulfate

(2-hydroxyphenyl) hydrogen sulfate

C6H6O5S (189.9935946)


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 (189.9935946)


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 (189.9935946)


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

   

Resorcinol sulfate

(3-hydroxyphenyl)oxidanesulfonic acid

C6H6O5S (189.9935946)


   
   
   

Hydroquinone sulfate

(4-hydroxyphenyl)oxidanesulfonic acid

C6H6O5S (189.9935946)


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 (189.99521779999998)


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 (189.9935946)


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 (189.9935946)


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

   

Quinol sulfate

Quinol sulfate

C6H6O5S (189.9935946)


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

   

1H-Imidazole-4-carboxylicacid,5-(chlorocarbonyl)-2,3-dihydro-2-oxo-(9CI)

1H-Imidazole-4-carboxylicacid,5-(chlorocarbonyl)-2,3-dihydro-2-oxo-(9CI)

C5H3ClN2O4 (189.9781348)


   
   
   

CHLOROMETHYL PHENYL SULFONE

CHLOROMETHYL PHENYL SULFONE

C7H7ClO2S (189.9855272)


   

2,6-Dichloro-3,4-dimethylphenol

2,6-Dichloro-3,4-dimethylphenol

C8H8Cl2O (189.99521779999998)


   

(2-Bromo-1-cyclopenten-1-yl)boronic acid

(2-Bromo-1-cyclopenten-1-yl)boronic acid

C5H8BBrO2 (189.9800678)


   

Butanedioic acid,2,2,3,3-tetrafluoro-

Butanedioic acid,2,2,3,3-tetrafluoro-

C4H2F4O4 (189.988922)


   
   

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

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

C8H8Cl2O (189.99521779999998)


   

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

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

C6H4ClFN2O2 (189.99453259999999)


   

2,4-Dichlorophenylboronic acid

2,4-Dichlorophenylboronic acid

C6H5BCl2O2 (189.975964)


   

Calcium bis(hydroxyacetate)

Calcium bis(hydroxyacetate)

C4H6CaO6 (189.9790286)


   

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

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

C8H8Cl2O (189.99521779999998)


   
   
   

5-(METHYLSULFONYL)-2-THIOPHENECARBALDEHYDE

5-(METHYLSULFONYL)-2-THIOPHENECARBALDEHYDE

C6H6O3S2 (189.9758366)


   

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

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

C8H8Cl2O (189.99521779999998)


   

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

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

C8H8Cl2O (189.99521779999998)


   
   

Ethyl5-chlorothiophene-2-carboxylate

Ethyl5-chlorothiophene-2-carboxylate

C7H7ClO2S (189.9855272)


   

silane, (3-bromo-1-propynyl)trimethyl-

silane, (3-bromo-1-propynyl)trimethyl-

C6H11BrSi (189.98133459999997)


   

alpha-Toluenesulfonyl chloride

alpha-Toluenesulfonyl chloride

C7H7ClO2S (189.9855272)


   

6-chloro-4-nitro-1-oxidopyridin-1-ium-3-ol

6-chloro-4-nitro-1-oxidopyridin-1-ium-3-ol

C5H3ClN2O4 (189.9781348)


   
   

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

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

C8H8Cl2O (189.99521779999998)


   

2-Thiophenecarbonylchloride,3-ethoxy-(9CI)

2-Thiophenecarbonylchloride,3-ethoxy-(9CI)

C7H7ClO2S (189.9855272)


   
   

(5-METHYL-[1,3,4]THIADIAZOL-2-YLSULFANYL)-ACETIC ACID

(5-METHYL-[1,3,4]THIADIAZOL-2-YLSULFANYL)-ACETIC ACID

C5H6N2O2S2 (189.98706959999998)


   

N-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-ACETAMIDE

N-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-ACETAMIDE

C5H6N2O2S2 (189.98706959999998)


   

(2,6-Dichlorophenyl)boronicacid

(2,6-Dichlorophenyl)boronicacid

C6H5BCl2O2 (189.975964)


   

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

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

C8H8Cl2O (189.99521779999998)


   
   

3,4-Dichlorophenylboronic acid

3,4-Dichlorophenylboronic acid

C6H5BCl2O2 (189.975964)


   

Methyl 3-chloro-4-methylthiophene-2-carboxylate

Methyl 3-chloro-4-methylthiophene-2-carboxylate

C7H7ClO2S (189.9855272)


   

METHYL 4-CHLOROBENZENE SULFINATE

METHYL 4-CHLOROBENZENE SULFINATE

C7H7ClO2S (189.9855272)


   
   

1,2-ethylenediphosphonic acid

1,2-ethylenediphosphonic acid

C2H8O6P2 (189.9796128)


   

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

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

C8H8Cl2O (189.99521779999998)


   

3-Pyridinesulfonamide,6-mercapto-(7CI,8CI)

3-Pyridinesulfonamide,6-mercapto-(7CI,8CI)

C5H6N2O2S2 (189.98706959999998)


   
   

2,6-dichlorobenzyl methyl ether

2,6-dichlorobenzyl methyl ether

C8H8Cl2O (189.99521779999998)


   

THIENO[3,4-B]-1,4-DIOXIN, 2-(CHLOROMETHYL)-2,3-DIHYDRO-

THIENO[3,4-B]-1,4-DIOXIN, 2-(CHLOROMETHYL)-2,3-DIHYDRO-

C7H7ClO2S (189.9855272)


   

Benzo[1,2-b:4,5-b]dithiophene

Benzo[1,2-b:4,5-b]dithiophene

C10H6S2 (189.9910916)


   

2-chlorophenyl methyl sulfone

2-chlorophenyl methyl sulfone

C7H7ClO2S (189.9855272)


   
   

3-CHLOROPHENYLMETHYLSULFONE

3-CHLOROPHENYLMETHYLSULFONE

C7H7ClO2S (189.9855272)


   
   
   

4-Chlorophenyl methyl sulfone

4-Chlorophenyl methyl sulfone

C7H7ClO2S (189.9855272)


   

2-chloro-4-fluorophenol carbonate

2-chloro-4-fluorophenol carbonate

C7H4ClFO3 (189.98329959999998)


   

5-Chloro-2,6-dihydroxy-4-pyrimidinecarboxylic acid

5-Chloro-2,6-dihydroxy-4-pyrimidinecarboxylic acid

C5H3ClN2O4 (189.9781348)


   
   

2-amino-6-chloro-5-nitropyrimidin-4-ol

2-amino-6-chloro-5-nitropyrimidin-4-ol

C4H3ClN4O3 (189.9893678)


   

(2,5-Dichlorophenyl)boronic acid

(2,5-Dichlorophenyl)boronic acid

C6H5BCl2O2 (189.975964)


   
   
   

2-(4-Chlorophenoxy)ethylchloride

2-(4-Chlorophenoxy)ethylchloride

C8H8Cl2O (189.99521779999998)


   

3,5-Dichlorophenylboronic acid

3,5-Dichlorophenylboronic acid

C6H5BCl2O2 (189.975964)


   

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

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

C8H8Cl2O (189.99521779999998)


   

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

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

C8H8Cl2O (189.99521779999998)


   

METHACRYLIC ACID-SODIUM HYDROGEN SULFITE TELOMER, SODIUM SALT

METHACRYLIC ACID-SODIUM HYDROGEN SULFITE TELOMER, SODIUM SALT

C4H7NaO5S (189.99118919999998)


   
   

2-Amino-3-chloro-4-fluoronitrobenzene

2-Amino-3-chloro-4-fluoronitrobenzene

C6H4ClFN2O2 (189.99453259999999)


   

o-Toluenesulfonyl chloride

o-Toluenesulfonyl chloride

C7H7ClO2S (189.9855272)


   

Ethyl 3-chlorothiophene-2-carboxylate

Ethyl 3-chlorothiophene-2-carboxylate

C7H7ClO2S (189.9855272)


   
   

m-Toluenesulfonyl chloride

m-Toluenesulfonyl chloride

C7H7ClO2S (189.9855272)


   

2,4-dihydroxybenzenesulfonic Acid

2,4-dihydroxybenzenesulfonic Acid

C6H6O5S (189.9935946)


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 (189.9935946)


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 (189.9935946)


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

   
   

3,4-dihydroxybenzenesulfonic acid

3,4-dihydroxybenzenesulfonic acid

C6H6O5S (189.9935946)


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 (189.9935946)


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

   

Resorcinol sulfate

Resorcinol sulfate

C6H6O5S (189.9935946)


   

2,5-Dihydroxybenzenesulfonic Acid

2,5-Dihydroxybenzenesulfonic Acid

C6H6O5S (189.9935946)


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

   
   

Dihydroxybenzenesulfonic acid

Dihydroxybenzenesulfonic acid

C6H6O5S (189.9935946)


   

Pyrocatechol sulfate

(2-hydroxyphenyl)oxidanesulfonic acid

C6H6O5S (189.9935946)


new metabolite created