Exact Mass: 217.97688100000002
Exact Mass Matches: 217.97688100000002
Found 398 metabolites which its exact mass value is equals to given mass value 217.97688100000002
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Sulfosalicylic acid
5-Sulfosalicylic acid is a derivative of salicylic acid, a common anti-inflammatory drug.Sulfosalicylic acid is used in urine tests to determine urine protein content. The chemical causes the precipitation of dissolved proteins, which is measured from the degree of turbidity. It is also used for integral colour anodizing. -Wikipedia [HMDB] 5-Sulfosalicylic acid is a derivative of salicylic acid, a common anti-inflammatory drug. Sulfosalicylic acid is used in urine tests to determine urine protein content. The chemical causes the precipitation of dissolved proteins, which is measured from the degree of turbidity. It is also used for integral colour anodizing. -Wikipedia. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Diphenyl disulfide
Diphenyl disulfide is a flavouring ingredient Diphenyl disulfide is the chemical compound with the formula [C6H5S]2. This colorless crystalline material is often abbreviated Ph2S2. It is one of the most popular organic disulfides used in organic synthesis. Minor contamination by thiophenol is responsible for the disagreeable odour associated with this compound Flavouring ingredient
Tyrosol 4-sulfate
Tyrosol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
3-hydroxybenzoic acid-3-O-sulphate
3-hydroxybenzoic acid-3-O-sulphate is a conjugate of 3-hydroxybenzoic acid and sulphate. 3-Hydroxybenzoic acid is a monohydroxybenzoic acid. 3-Hydroxybenzoic acid can be formed by a Pseudomonas species from 3-chlorobenzoic acid. (Wikipedia)
4-hydroxybenzoic acid-4-O-sulphate
4-hydroxybenzoic acid-4-O-sulphate is a conjugate of 4-hydroxybenzoic acid and sulphate. 4-phenylbutyric acid is a monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the γ-globin gene and affects hPPARγ activation. (CHEBI:41500) 4-hydroxybenzoic acid 4-o-sulphate, also known as 4-sulfooxybenzoic acid, is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-hydroxybenzoic acid 4-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-hydroxybenzoic acid 4-o-sulphate can be found primarily in urine.
4-Methylcatechol sulfate
2,1,3-Benzoxadiazole-4-sulfonic acid, 7-fluoro-
Fosfosal
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-(3,4-Dichlorophenyl)-3-methylurea
C8H8Cl2N2O (218.00136579999997)
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4070; ORIGINAL_PRECURSOR_SCAN_NO 4067 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4104 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4080; ORIGINAL_PRECURSOR_SCAN_NO 4078 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4066; ORIGINAL_PRECURSOR_SCAN_NO 4064 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8694; ORIGINAL_PRECURSOR_SCAN_NO 8693 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8700; ORIGINAL_PRECURSOR_SCAN_NO 8699 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8691; ORIGINAL_PRECURSOR_SCAN_NO 8688 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8713; ORIGINAL_PRECURSOR_SCAN_NO 8709
Disulfide, (methylsulfonyl)methyl (methylthio)methyl
3-(3-chloroprop-1-yn-1-yl)-1H-isochromen-1-one|gymnopalyne A
fosfosal
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Diuron-desmonomethyl
C8H8Cl2N2O (218.00136579999997)
CONFIDENCE standard compound; INTERNAL_ID 4001
Diuron-desmethyl
C8H8Cl2N2O (218.00136579999997)
A member of the class of phenylureas that is urea in which a hydrogens attached to one nitrogen is substituted by a methyl group, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. It is a metabolite of diuron. CONFIDENCE standard compound; EAWAG_UCHEM_ID 294
C11H7ClN2O_3-(4-Chloro-1,3-oxazol-5-yl)-1H-indole
C11H7ClN2O (218.02468819999999)
5-Sulfosalicylic acid
An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.
2-(2,4-DICHLORO-PHENYL)-N-HYDROXY-ACETAMIDINE
C8H8Cl2N2O (218.00136579999997)
1H-Imidazole-2-methanol,5-bromo-1-ethyl-4-methyl-(9CI)
C7H11BrN2O (218.00546959999997)
(3-Fluoro-4-(methylsulfonyl)phenyl)boronic acid
C7H8BFO4S (218.02203699999998)
S-2--Bromo-4-imidazole propionic acid
C6H7BrN2O2 (217.96908620000002)
3-Quinolinecarbonitrile, 4-chloro-7-Methoxy-
C11H7ClN2O (218.02468819999999)
(6-CHLORO-2-METHANESULFONYL-PYRIMIDIN-4-YL)-ETHYL-AMINE
1,1-dichloro-1-(difluoromethoxy)-2,2,2-trifluoroethane
2,4,5-trimethylbenzenesulfonyl chloride(SALTDATA: FREE)
Ethyl 5-bromo-1H-pyrazole-4-carboxylate
C6H7BrN2O2 (217.96908620000002)
Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
C6H7BrN2O2 (217.96908620000002)
Carbamimidothioic acid,methyl ester, monohydriodide (9CI)
3-(5-CHLOROBENZOFURAN-2-YL)-1H-PYRAZOLE
C11H7ClN2O (218.02468819999999)
NICKEL CHLORIDE, DIMETHOXYETHANE ADDUCT
C4H10Cl2NiO2 (217.94112900000002)
2-(3,4-dichloro-phenyl)-n-hydroxy-acetamidine
C8H8Cl2N2O (218.00136579999997)
4-Chloro-6-methoxy quinoline-3-carbonitrile
C11H7ClN2O (218.02468819999999)
Methyl 2-bromo-1-methyl-1H-imidazole-5-carboxylate
C6H7BrN2O2 (217.96908620000002)
Methyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
C6H7BrN2O2 (217.96908620000002)
2-Phenylpyrimidine-5-carbonyl chloride 97
C11H7ClN2O (218.02468819999999)
1H-Imidazole-5-propanoicacid, a-bromo-
C6H7BrN2O2 (217.96908620000002)
2-(2,6-dichloro-phenyl)-n-hydroxy-acetamidine
C8H8Cl2N2O (218.00136579999997)
Calcium lactate
C6H10CaO6 (218.01032700000002)
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12A - Calcium > A12AA - Calcium
Trichloro(2,3-dimethyl-2-butanyl)silane
C6H13Cl3Si (217.98520680000001)
[2-Fluoro-4-(methylsulfonyl)phenyl]boronic acid
C7H8BFO4S (218.02203699999998)
5-(2-bromoethyl)pyrimidine-2,4(1H,3H)-dione
C6H7BrN2O2 (217.96908620000002)
1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4(5H)-ONE
2-chloro-6-methoxyquinoline-3-carbonitrile
C11H7ClN2O (218.02468819999999)
5-Bromo-4-hydroxy-2-methoxy-6-methylpyrimidine
C6H7BrN2O2 (217.96908620000002)
Methanesulfonic acid,1,1,1-trifluoro-, 1,2-dimethyl-1-propen-1-yl ester
methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
C6H7BrN2O2 (217.96908620000002)
2-AMINO-5-(4-CHLORO-PHENYL)-FURAN-3-CARBONITRILE
C11H7ClN2O (218.02468819999999)
4-BROMO-N-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXIMIDAMIDE
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl 2-methylprop-2-enoate
5-Bromo-4-fluoro-2-hydroxybenzaldehyde
C7H4BrFO2 (217.93786759999998)
N-(2-AMINO-4 5-DICHLOROPHENYL)ACETAMIDE&
C8H8Cl2N2O (218.00136579999997)
4-BROMO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLICACID
C6H7BrN2O2 (217.96908620000002)
5-Bromo-4-fluorobenzo[d][1,3]dioxole
C7H4BrFO2 (217.93786759999998)
4-Chloro-5-methoxy-3-quinolinecarbonitrile
C11H7ClN2O (218.02468819999999)
1-(5-CHLORO-3-CHLOROMETHYL-2-HYDROXY-PHENYL)-ETHANONE
4-chloro-2-Methylbenzofuropyrimidine
C11H7ClN2O (218.02468819999999)
SODIUM (2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-THIOLATE
(6-chloropyridazin-3-yl)-phenylmethanone
C11H7ClN2O (218.02468819999999)
4-Chloro-7-hydroxy-6-methyl-3-quinolinecarbonitrile
C11H7ClN2O (218.02468819999999)
chloro-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
DIMETHYL 4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLATE
N-(4-amino-2,6-dichloro-phenyl)acetamide
C8H8Cl2N2O (218.00136579999997)
2-(2,6-Dichlorophenyl)acetohydrazide
C8H8Cl2N2O (218.00136579999997)
4-amino-2,3-difluoro-5-nitrobenzoic acid
C7H4F2N2O4 (218.01391279999999)
2-(2,4-DICHLOROPHENOXY)ACETAMIDINE
C8H8Cl2N2O (218.00136579999997)
4-chloro-8-methoxyquinoline-3-carbonitrile
C11H7ClN2O (218.02468819999999)
potassium 4-chlorophenyltrifluoroborate
C6H4BClF3K (217.96837399999998)
Potassium (3-chlorophenyl)trifluoroborate
C6H4BClF3K (217.96837399999998)
Ethanone, 2-chloro-1-(3-chloro-4-methoxyphenyl)- (9CI)
3-bromo-5-fluoro-2-hydroxybenzaldehyde
C7H4BrFO2 (217.93786759999998)
ETHYL 4-AMINO-2-(METHYLTHIO)THIAZOLE-5-CARBOXYLATE
Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyldichloride, (1R,2R,3R,4S)-rel-
7-CHLORO-3,4-DIHYDRO-2H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE
Ethyl 4-bromo-1H-pyrazole-3-carboxylate
C6H7BrN2O2 (217.96908620000002)
4,4-Difluorocyclohexanesulfonyl chloride
C6H9ClF2O2S (217.99798280000002)
2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
C8H8Cl2N2O (218.00136579999997)
2-chloro-7-methoxyquinoline-3-carbonitrile
C11H7ClN2O (218.02468819999999)
2-(4-BROMO-PYRAZOL-1-YL)-PROPIONIC ACID
C6H7BrN2O2 (217.96908620000002)
2-(4-chlorophenyl)pyrimidine-5-carbaldehyde
C11H7ClN2O (218.02468819999999)
5-Bromo-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
C6H7BrN2O2 (217.96908620000002)
3-BROMO-4-TRIMETHYLSILANYL-1H-PYRAZOLE
C6H11BrN2Si (217.98748259999996)
4-chloro-6-cyano-7-methoxyquinoline
C11H7ClN2O (218.02468819999999)
4-(methylthio)phenyl chlorothioformate
C8H7ClOS2 (217.96268419999998)
(4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide
Ethyl 5-bromo-1H-imidazole-2-carboxylate
C6H7BrN2O2 (217.96908620000002)
2-Bromo-N-(5-Methyl Isoxazole-3-Yl)Acetamide
C6H7BrN2O2 (217.96908620000002)
3-(4-Bromo-1H-pyrazol-1-yl)propanoic acid
C6H7BrN2O2 (217.96908620000002)
4-BROMO-1-ETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
C6H7BrN2O2 (217.96908620000002)
METHYL 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE
2-(3,4-dichlorophenyl)acetohydrazide
C8H8Cl2N2O (218.00136579999997)
2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE
2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-amine
4-(6-Chloropyridazin-3-yl)benzaldehyde
C11H7ClN2O (218.02468819999999)
Trichloro(3,3-dimethylbutyl)silane
C6H13Cl3Si (217.98520680000001)
3-Bromo-5-fluoro-4-hydroxybenzaldehyde
C7H4BrFO2 (217.93786759999998)
5-bromo-3-fluoro-2-hydroxybenzaldehyde
C7H4BrFO2 (217.93786759999998)
4-bromo-1,3-dimethyl-1h-pyrazole-5-carboxylic
C6H7BrN2O2 (217.96908620000002)
(E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid
C9H5ClF2O2 (217.99461240000002)
5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid
METHYL 4-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE
C6H7BrN2O2 (217.96908620000002)
2,1,3-Benzoxadiazole-4-sulfonic acid, 7-fluoro-
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
3-hydroxybenzoic acid-3-O-sulphate
3-hydroxybenzoic acid-3-O-sulphate is a conjugate of 3-hydroxybenzoic acid and sulphate. 3-Hydroxybenzoic acid is a monohydroxybenzoic acid. 3-Hydroxybenzoic acid can be formed by a Pseudomonas species from 3-chlorobenzoic acid. (Wikipedia)
4-hydroxybenzoic acid-4-O-sulphate
4-hydroxybenzoic acid-4-O-sulphate is a conjugate of 4-hydroxybenzoic acid and sulphate. 4-phenylbutyric acid is a monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the γ-globin gene and affects hPPARγ activation. (CHEBI:41500)
1-Amino-2-phosphorylethylphosphonate
C2H6NO7P2-3 (217.96195260000002)
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
C11H6O5-2 (218.02152260000003)
6-Chloro-2-hydroxy-4-carboxymuconate-6-semialdehyde
(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2-)
C11H6O5-2 (218.02152260000003)
Sulfosalicylic Acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-(Imidazol-4-yl)-2-oxopropyl phosphate(2-)
Dianion of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3.
4-Nitrophenyl sulfate
An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3.
4-Ethylcatechol sulfate
9-ethyl-3,3-dioxo-2,4-dioxa-3λ6-thiabicyclo[3.3.1]nona-1(9),5,7-triene-6,7-diol