Exact Mass: 189.9455826
Exact Mass Matches: 189.9455826
Found 243 metabolites which its exact mass value is equals to given mass value 189.9455826,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bromobenzene-2,3-dihydrodiol
This compound belongs to the family of Cyclic Alcohols and Derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
Bromobenzene-3,4-dihydrodiol
This compound belongs to the family of Cyclic Alcohols and Derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
Catechol sulfate
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
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
D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics
Dimethyl pentasulfide
Dimethyl pentasulfide is a member of the class of compounds known as sulfenyl compounds. Sulfenyl compounds are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl). Dimethyl pentasulfide can be found in garden onion and soft-necked garlic, which makes dimethyl pentasulfide a potential biomarker for the consumption of these food products.
Sodium disulfite
Food preservative; sanitising agent for food containers and fermentation equipment. Sodium metabisulfite or sodium pyrosulfite (IUPAC spelling; Br. E. sodium metabisulphite or sodium pyrosulphite) is an inorganic compound of chemical formula Na2S2O5. The substance is sometimes referred to as disodium (metabisulfite). It is used as a disinfectant, antioxidant and preservative agent. Food preservative; sanitising agent for food containers and fermentation equipment
2,4-DICHLOROBENZOIC ACID
C7H4Cl2O2 (189.95883440000003)
A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups.
Hydroquinone sulfate
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
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
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
An aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group.
Quinol sulfate
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)
2-Chloro-5-fluoro-4-methyl-3-nitropyridine
C6H4ClFN2O2 (189.99453259999999)
2,6-DICHLORO-4-HYDROXYBENZALDEHYDE
C7H4Cl2O2 (189.95883440000003)
3,5-Dichlorobenzoic acid
C7H4Cl2O2 (189.95883440000003)
A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups.
silane, (3-bromo-1-propynyl)trimethyl-
C6H11BrSi (189.98133459999997)
(4-BOC-AMINO-PIPERIDIN-1-YL)-NAPHTHALEN-2-YL-ACETICACID
2,4-Dichloro-3-hydroxybenzaldehyde
C7H4Cl2O2 (189.95883440000003)
5-chloro-2-hydroxybenzoyl chloride
C7H4Cl2O2 (189.95883440000003)
2,3-Dichloro-4-hydroxybenzaldehyde
C7H4Cl2O2 (189.95883440000003)
Benzaldehyde,3,5-dichloro-4-hydroxy-
C7H4Cl2O2 (189.95883440000003)
2,5-Cyclohexadien-1-one,4-(dichloromethyl)-4-methyl-
Carbonochloridic acid,2-chlorophenyl ester
C7H4Cl2O2 (189.95883440000003)
(5-METHYL-[1,3,4]THIADIAZOL-2-YLSULFANYL)-ACETIC ACID
C5H6N2O2S2 (189.98706959999998)
N-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-ACETAMIDE
C5H6N2O2S2 (189.98706959999998)
4-Pyrimidinecarbonylchloride,6-chloro-2-methyl-(9CI)
1-chloro-2,3,4,5,5-pentafluorocyclopenta-1,3-diene
3-Pyridinesulfonamide,6-mercapto-(7CI,8CI)
C5H6N2O2S2 (189.98706959999998)
4-Bromo-5-fluoro-6-methylpyrimidine
C5H4BrFN2 (189.95418559999996)
O-(4-fluorophenyl) chloromethanethioate
C7H4ClFOS (189.96554159999997)
BORONIC ACID, (5-CHLORO-3-FORMYL-2-THIENYL)- (9CI)
THIENO[3,4-B]-1,4-DIOXIN, 2-(CHLOROMETHYL)-2,3-DIHYDRO-
2,6-Dichlorobenzoic acid
C7H4Cl2O2 (189.95883440000003)
A chlorobenzoic acid carrying two chloro groups at positions 2 and 6 respectively.
Sodium metabisulfite
D019141 - Respiratory System Agents > D016085 - Bronchoconstrictor Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
2,6-Dichloro-5-fluoronicotinonitrile
C6HCl2FN2 (189.95008180000002)
(1,3-dioxolan-2-ylmethyl)magnesium bromide
C4H7BrMgO2 (189.94798820000003)
2,4-DICHLORO-6-HYDROXYBENZALDEHYDE
C7H4Cl2O2 (189.95883440000003)
5-Chloro-2,6-dihydroxy-4-pyrimidinecarboxylic acid
2,3-Dichlorobenzoic acid
C7H4Cl2O2 (189.95883440000003)
A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 3 are substituted by chloro groups.
METHACRYLIC ACID-SODIUM HYDROGEN SULFITE TELOMER, SODIUM SALT
C4H7NaO5S (189.99118919999998)
Carbonochloridothioic acid, O-(3-fluorophenyl) ester (9CI)
C7H4ClFOS (189.96554159999997)
2-Amino-3-chloro-4-fluoronitrobenzene
C6H4ClFN2O2 (189.99453259999999)
5-Bromouracil
D009676 - Noxae > D000963 - Antimetabolites D009676 - Noxae > D009153 - Mutagens
3,6-DICHLORO-2-HDYROXYBENZALDEHYDE
C7H4Cl2O2 (189.95883440000003)
3-bromo-1H-1,2,4-triazole-5-carboxamide(SALTDATA: FREE)
C3H3BrN4O (189.94902079999997)
2,4-dihydroxybenzenesulfonic Acid
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
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
A dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen meta- to both of the hydroxy groups is replaced by a sulfonic acid group.
(3E)-2-chloro-5-oxohex-3-enedioate
C6H3ClO5-2 (189.96690180000002)
(2E,4E)-2-chloro-5-hydroxyhexa-2,4-dienedioate
C6H3ClO5-2 (189.96690180000002)
(3Z)-2-chloro-5-oxohex-3-enedioate
C6H3ClO5-2 (189.96690180000002)
(2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioate
C6H3ClO5-2 (189.96690180000002)
3,4-dihydroxybenzenesulfonic acid
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
A dihydroxybenzenesulfonic acid in which the hydroxy groups are located at positions 2 and 3.
2,5-Dihydroxybenzenesulfonic Acid
A dihydroxybenzenesulfonic acid that is hydroquinone in which one of the phenyl hydrogens is substituted by a sulfonic acid group.