Exact Mass: 189.9912

4-Sulfocatechol

C6H6O5S (189.9936)

3-Sulfocatechol

C6H6O5S (189.9936)

Catechol 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

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

C6H6O5S (189.9936)

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

Resorcinol sulfate

C6H6O5S (189.9936)

5-Chloro-4-fluoro-2-nitroaniline

C6H4ClFN2O2 (189.9945)

N-Acetylaminorhodanine

C5H6N2O2S2 (189.9871)

Hydroquinone sulfate

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

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

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

C6H6O5S (189.9936)

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

Quinol sulfate

C6H6O5S (189.9936)

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

1-(3-Chloro-2,6-difluorophenyl)ethanone

C8H5ClF2O (189.9997)

2-(2,3-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

1-(3,4-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

4-chloro-2,5-difluoroacetophenone

C8H5ClF2O (189.9997)

CHLOROMETHYL PHENYL SULFONE

C7H7ClO2S (189.9855)

(4-CHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)METHANOL

C6H7ClN2OS (189.9968)

2,6-Dichloro-3,4-dimethylphenol

C8H8Cl2O (189.9952)

2-bromo-5-methylcyclohexan-1-one

C7H11BrO (189.9993)

2-Chloro-4,5-difluoroacetophenone

C8H5ClF2O (189.9997)

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

C4H2F4O4 (189.9889)

1-(2,4-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

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

C8H8Cl2O (189.9952)

2-BROMOCYCLOHEPTANONE

C7H11BrO (189.9993)

1H-Imidazole-5-carbonylchloride,1-methyl-4-(methylthio)-(9CI)

C6H7ClN2OS (189.9968)

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

C6H4ClFN2O2 (189.9945)

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

C8H8Cl2O (189.9952)

1-(2,6-dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

2-chloro-N-1,3-thiazol-2-ylpropanamide

C6H7ClN2OS (189.9968)

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

C8H8Cl2O (189.9952)

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

C8H8Cl2O (189.9952)

2,2-Difluoro-2-Chloroacetophenone

C8H5ClF2O (189.9997)

2-Chloro-6-fluoro-3-hydroxyphenylboronic acid

C6H5BClFO3 (190.0004)

1-(2,5-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

Ethyl5-chlorothiophene-2-carboxylate

C7H7ClO2S (189.9855)

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

C6H11BrSi (189.9813)

alpha-Toluenesulfonyl chloride

C7H7ClO2S (189.9855)

4-Chloro-2,6-difluoroacetophenone

C8H5ClF2O (189.9997)

4-Chloro-2-fluoro-5-nitroaniline

C6H4ClFN2O2 (189.9945)

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

C8H8Cl2O (189.9952)

4-chloro-2-(diMethylaMino)-1,3-thiazole-5-carbaldehyde

C6H7ClN2OS (189.9968)

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

C7H7ClO2S (189.9855)

2-Chloro-1-(3,4-difluorophenyl)ethanone

C8H5ClF2O (189.9997)

2-(2,4-dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

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

C5H6N2O2S2 (189.9871)

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

C5H6N2O2S2 (189.9871)

6-(CHLOROMETHYL)-2-(METHYLTHIO)PYRIMIDIN-4(3H)-ONE

C6H7ClN2OS (189.9968)

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

C8H8Cl2O (189.9952)

2-Bromo-4-methylcyclohexanone

C7H11BrO (189.9993)

2-(2,6-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

2,3-difluoro-4-methylbenzoyl chloride

C8H5ClF2O (189.9997)

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

C7H7ClO2S (189.9855)

METHYL 4-CHLOROBENZENE SULFINATE

C7H7ClO2S (189.9855)

4-Mercapto-3-pyridinesulfonamide

C5H6N2O2S2 (189.9871)

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

C8H8Cl2O (189.9952)

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

C5H6N2O2S2 (189.9871)

2-Chloro-2,3-difluoroacetophenone

C8H5ClF2O (189.9997)

2,6-Difluoro-3-methylbenzoyl chloride

C8H5ClF2O (189.9997)

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

C8H8Cl2O (189.9952)

2,6-dichlorobenzyl methyl ether

C8H8Cl2O (189.9952)

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

C7H7ClO2S (189.9855)

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C6H7ClN2OS (189.9968)

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

C10H6S2 (189.9911)

Chlorodifluoroacetophenone

C8H5ClF2O (189.9997)

2-chlorophenyl methyl sulfone

C7H7ClO2S (189.9855)

2,5-DIFLUORO-4-METHYL-BENZOYLCHLORIDE

C8H5ClF2O (189.9997)

4-Chloro-5-methoxy-2-(methylsulfanyl)pyrimidine

C6H7ClN2OS (189.9968)

4-chloro-6-methoxy-2-methylsulfanylpyrimidine

C6H7ClN2OS (189.9968)

3-Chloro-5-fluorosalicylic acid

C7H4ClFO3 (189.9833)

Acetamide, N-(4-(chloromethyl)-2-thiazolyl)- (8CI)(9CI)

C6H7ClN2OS (189.9968)

3-CHLOROPHENYLMETHYLSULFONE

C7H7ClO2S (189.9855)

3-sulfanylpyridine-2-sulfonamide

C5H6N2O2S2 (189.9871)

5-Methoxy-2,3-dichlorotoluene

C8H8Cl2O (189.9952)

4-Chlorophenyl methyl sulfone

C7H7ClO2S (189.9855)

2-chloro-4-fluorophenol carbonate

C7H4ClFO3 (189.9833)

2-(3,5-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

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

C4H3ClN4O3 (189.9894)

Tosyl chloride

C7H7ClO2S (189.9855)

3,4-Difluorophenyl acetyl chloride

C8H5ClF2O (189.9997)

(2,4-Difluorophenyl)acetyl chloride

C8H5ClF2O (189.9997)

2-(3,4-Dichlorophenyl)ethanol

C8H8Cl2O (189.9952)

2-(4-Chlorophenoxy)ethylchloride

C8H8Cl2O (189.9952)

3-chloro-4-methylthiophene-2-carbohydrazide

C6H7ClN2OS (189.9968)

2-Chloro-2,4-difluoroacetophenone

C8H5ClF2O (189.9997)

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

C8H8Cl2O (189.9952)

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

C8H8Cl2O (189.9952)

2-Chloro-1-(2,5-difluorophenyl)ethanone

C8H5ClF2O (189.9997)

METHACRYLIC ACID-SODIUM HYDROGEN SULFITE TELOMER, SODIUM SALT

C4H7NaO5S (189.9912)

4-Chloro-5-fluoro-2-nitroaniline

C6H4ClFN2O2 (189.9945)

2-Amino-3-chloro-4-fluoronitrobenzene

C6H4ClFN2O2 (189.9945)

o-Toluenesulfonyl chloride

C7H7ClO2S (189.9855)

Ethyl 3-chlorothiophene-2-carboxylate

C7H7ClO2S (189.9855)

2-CHLORO-5-FLUORO-4-NITROANILINE

C6H4ClFN2O2 (189.9945)

2,4-difluoro-3-methylbenzoyl chloride

C8H5ClF2O (189.9997)

2-(3,5-difluorophenyl)acetyl chloride

C8H5ClF2O (189.9997)

m-Toluenesulfonyl chloride

C7H7ClO2S (189.9855)

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

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

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

C8H8Cl2O (189.9952)

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

C6H6O5S (189.9936)

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

Resorcinol sulfate

C6H6O5S (189.9936)

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

C6H6O5S (189.9936)

Dihydroxybenzenesulfonic acid

C6H6O5S (189.9936)

Pyrocatechol sulfate

C6H6O5S (189.9936)

new metabolite created