Exact Mass: 217.9978
Exact Mass Matches: 217.9978
Found 449 metabolites which its exact mass value is equals to given mass value 217.9978,
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-
1-(3,4-Dichlorophenyl)-3-methylurea
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
Diphenyl sulfone
A sulfone compound having two S-phenyl substituents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera.
Disulfide, (methylsulfonyl)methyl (methylthio)methyl
3-(3-chloroprop-1-yn-1-yl)-1H-isochromen-1-one|gymnopalyne A
Sodium_gluconate
Sodium gluconate is an organic sodium salt having D-gluconate as the counterion. It has a role as a chelator. It contains a D-gluconate. Sodium Gluconate is the sodium salt of gluconic acid with chelating property. Sodium gluconate chelates and forms stable complexes with various ions, preventing them from engaging in chemical reactions. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor.
Diuron-desmonomethyl
CONFIDENCE standard compound; INTERNAL_ID 4001
Diuron-desmethyl
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
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.
5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
1H-Imidazole-2-methanol,5-bromo-1-ethyl-4-methyl-(9CI)
(6-CHLORO-2-METHANESULFONYL-PYRIMIDIN-4-YL)-ETHYL-AMINE
2,4,5-trimethylbenzenesulfonyl chloride(SALTDATA: FREE)
4-Chloro-2-(tert-Butylamino)-5-thiazolecarboxaldehyde
Methyl 2-bromo-1-methyl-1H-imidazole-5-carboxylate
5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE
2-Pyridinemethanol,3,5-dimethyl-4-nitro-, hydrochloride
Calcium lactate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12A - Calcium > A12AA - Calcium
2,4,6-trimethyl-4-phenyl-1,3-dioxane
Fragrance ingredient with a grapefruit-like aroma
1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4(5H)-ONE
5-Amino-3-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
Methanesulfonic acid,1,1,1-trifluoro-, 1,2-dimethyl-1-propen-1-yl ester
4-BROMO-N-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXIMIDAMIDE
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl 2-methylprop-2-enoate
5-AMINO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
(3S)-(-)-3-(Trifluoroacetamido)pyrrolidine hydrochloride
1-(5-CHLORO-3-CHLOROMETHYL-2-HYDROXY-PHENYL)-ETHANONE
SODIUM (2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-THIOLATE
4-Chloro-7-hydroxy-6-methyl-3-quinolinecarbonitrile
chloro-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
3-HYDROXY-4-(METHYLTHIO)-[1,1-BIPHENYL]-4-CARBALDEHYDE
DIMETHYL 4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLATE
Ethanone, 2-chloro-1-(3-chloro-4-methoxyphenyl)- (9CI)
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
4-Chloro-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
2-[4-(4-FLUOROPHENYL)-1,3-THIAZOL-2-YL!ACETONITRILE
2-CHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE, , HYDROCHLORIDE
2-[(2-FURYLMETHYL)SULFONYL]-N-HYDROXYETHANIMIDAMIDE
(4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide
3-Pyridinesulfonamide,1-ethoxy-1,2-dihydro-2-oxo-(9CI)
METHYL 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE
2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE
2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-amine
(E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid
3-[1-(1,3-BENZOTHIAZOL-2-YL)HYDRAZINO]-PROPANENITRILE
5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
METHYL 4-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE
1,4-Dioxane-2,5-dione;1,3-dioxan-2-one
D001697 - Biomedical and Dental Materials
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
Sodium gluconate
Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor.
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)
6-Chloro-2-hydroxy-4-carboxymuconate-6-semialdehyde
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
3-(5-Hydroxyindol-3-yl)pyruvate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-(5-hydroxyindol-3-yl)pyruvic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
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
