Exact Mass: 261.9663086
Exact Mass Matches: 261.9663086
Found 306 metabolites which its exact mass value is equals to given mass value 261.9663086,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Demeton-S-methylsulphon
CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5769; ORIGINAL_PRECURSOR_SCAN_NO 5764 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5777; ORIGINAL_PRECURSOR_SCAN_NO 5772 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5742; ORIGINAL_PRECURSOR_SCAN_NO 5740 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5758; ORIGINAL_PRECURSOR_SCAN_NO 5755 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5786; ORIGINAL_PRECURSOR_SCAN_NO 5784 CONFIDENCE standard compound; INTERNAL_ID 1271; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5755; ORIGINAL_PRECURSOR_SCAN_NO 5752
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
Homovanillic acid sulfate
Homovanillic acid sulfate is a component of olive oil and is a major catecholamine metabolite. It is used as a reagent to detect oxidative enzymes and is associated with dopamine levels in the brain. In psychiatry and neuroscience, brain and cerebrospinal fluid levels of homovanillic acid (HVA) are measured as a marker of metabolic stress caused by 2-deoxy-D-glucose. HVA presence supports a diagnosis of neuroblastoma and malignant pheochromocytoma (Wikipedia). Homovanillic acid sulfate is an endogenous phenolic acid metabolite detected after the consumption of whole grain. Homovanillic acid sulfate is a component of olive oil and is a major catecholamine metabolite.It is used as a reagent to detect oxidative enzymes, and is associated with dopamine levels in the brain.
2-Hydroxy-4-methoxyacetophenone 5-sulfate
2-Hydroxy-4-methoxyacetophenone 5-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Dihydrocaffeic acid 3-sulfate
Dihydrocaffeic acid 3-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate is the conjugate of 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid and sulphate. (3-Hydroxyphenyl)hydracrylate (HPHPA) is an organic acid detected in human urine. It is thought that the presence of this acid is from nutritional sources (i.e. dietary phenylalanine). However, there has been a considerable degree of ambiguity in the origin and/or significance of this compound (PMID:11978597). Recently it has been reported that HPHPA is actually an abnormal phenylalanine metabolite arising from bacterial metabolism in the gastrointestinal tract. Specifically HPHPA appears to arise from the action of the anaerobic bacteria Clostrida sp. (PMID:20423563). Elevated levels of HPHPA have been reported in the urine of children with autism as well as in adult patients with schizophrenia. It has been proposed that HPHPA may be a bacterial metabolite of m-tyrosine, a tyrosine analog that causes symptoms of autism in experimental animals.
3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate
3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate is a metabolite found in urine of individuals that have consumed whole grains. It is a particularly strong biomarker for whole grain rye bread consumption (PMID: 23307617).
(2E)-4-Hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Arctinone A
Arctinone a is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinone a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctinone a can be found in burdock, which makes arctinone a a potential biomarker for the consumption of this food product.
3-(1-propynyl)-6-(5,6-dihydroxyhex-3-yn-1-ynyl)-1,2-dithiacyclohexa-3,5-diene|6-[6-(1-Propynyl)-1,2-dithiin-3-yl]-3,5-hexadiyne-1,2-diol|Thiarubrine E
(+)-2-[3-[(3-Hydroxy-1-propyl)-2-thienyl]-2-propynylidene]-3-thietanol
2-(Acetoxymethyl)-5-<(2-thienyl)aethinyl>thiophen|2-Acetoxymethyl-5--thiophen|2-acetoxymethyl-5-thiophen-2-ylethynyl-thiophene|Ac-5-(2-Thienylethynyl)-2-thiophenemthanol
Ferric ammonium citrate
C6H8FeNO7 (261.96501479999995)
V - Various > V08 - Contrast media > V08C - Magnetic resonance imaging contrast media > V08CA - Paramagnetic contrast media D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZOICACID
5-amino-1-(3-bromophenyl)-1H-Pyrazole-4-carbonitrile
2,6-Dinitro-4-(methyl-sulfonyl)-phenol
C7H6N2O7S (261.98957260000003)
2-methyl-3,5-dinitrobenzenesulfonic acid
C7H6N2O7S (261.98957260000003)
1-CHLORONAPHTHO[2,1-B]THIOPHENE-2-CARBOXYLIC ACID
C13H7ClO2S (261.98552720000004)
3-IODO-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
3-FLUORO-5-(TRIFLUOROMETHYL)BENZENE-1-SULFONYL CHLORIDE
6-Bromo-4-hydroxy-8-methyl-3-quinolinecarbonitrile
8-Bromo-4-hydroxy-6-methyl-3-quinolinecarbonitrile
(3-BOC-AMINO-PYRROLIDIN-1-YL)-THIOPHEN-2-YL-ACETICACID
2-(4-chlorophenyl)-6H-thieno[2,3-d]pyridazin-7-one
4-Fluoro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
Potassium (4-bromophenyl)(trifluoro)borate(1-)
C6H4BBrF3K (261.91785699999997)
Potassium (3-bromophenyl)(trifluoro)borate(1-)
C6H4BBrF3K (261.91785699999997)
2-Bromo-5,6-dimethoxy-3-nitropyridine
C7H7BrN2O4 (261.95891620000003)
5-(2-BROMO-ACETYL)-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
1,4-Butanedisulfonic acid disodium salt
C4H8Na2O6S2 (261.95577080000004)
2-bromo-3-ethoxy-6-fluorophenylboronic&
C8H9BBrFO3 (261.98121059999994)
6-Bromo-3-ethoxy-2-fluorobenzeneboronic acid
C8H9BBrFO3 (261.98121059999994)
2,6-DINITROTOLUENE-3-SULFONIC ACID
C7H6N2O7S (261.98957260000003)
3-chloro-4-phenylsulfanylthiolane 1,1-dioxide
C10H11ClO2S2 (261.98889760000003)
HYDROXYISOPROPYLCYCLOPENTADIENYLMANGANE&
C11H11MnO4- (262.00377660000004)
(1-chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene
1-(3-Bromo-5-fluorophenyl)-2-fluoro-2-methylpropan-1-one
2-fluoro-5-(trifluoromethyl)benzenesulfonyl chloride
3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
2-Naphthalenol,2-(hydrogen sulfate), potassium salt (1:1)
3-BROMO-2-ETHOXY-5-FLUOROPHENYLBORONIC
C8H9BBrFO3 (261.98121059999994)
5-AMINO-1-(2-BROMOPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
3,6,9,14-TETRATHIABICYCLO[9.2.1]TETRADECA-11,13-DIENE
2,3-Dihydro-7-bromo-1H-cyclopenta[b]quinolin-9-amine
4-Fluoro-3-(trifluoromethyl)benzenesulfonyl chloride
5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile
4-Bromo-N-ethyl-5-fluoro-2-nitroaniline
C8H8BrFN2O2 (261.97531399999997)
5-Chloromethyl-3-(2-trifluoromethylphenyl)-[1,2,4]oxadiazole
Benzene, [[2-bromo-1-(chloromethyl)ethoxy]Methyl]-
2-BROMO-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER
C7H7BrN2O4 (261.95891620000003)
Quazolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer
5-Bromo-3-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
2-Bromo-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
2,6-DICHLORO-4-(TRIFLUOROMETHYLTHIO)PHENOL
C7H3Cl2F3OS (261.92337640000005)
2,6-dinitro-p-toluenesulphonic acid
C7H6N2O7S (261.98957260000003)
1-(4-BROMOBENZYL)-1-(4-METHOXYPHENYL)HYDRAZINEHYDROCHLORIDE
Potassium (2-bromophenyl)(trifluoro)borate(1-)
C6H4BBrF3K (261.91785699999997)
4-Bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
methyl 5-bromo-4-fluoro-2-methoxybenzoate
C9H8BrFO3 (261.96408099999996)
4-Bromo-2-chloro-6-methyl-benzoic acid methyl ester
3-(chloromethyl)-5-(3,4-dichlorophenyl)-1,2,4-oxadiazole
Ethyl 2-bromo-4,4,4-trifluoro-3-oxobutanoate
C6H6BrF3O3 (261.94523819999995)
2-fluoro-6-(trifluoromethyl)benzene-1-sulfonyl chloride
3-[(4-CHLOROPHENYL)SULFONYL]-2-METHYLPROPANOIC ACID
3-(CHLOROMETHYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE
2-(Chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
4-bromo-2-fluoro-1-((2-methoxyethoxy)methyl)benzene
C10H12BrFO2 (262.00046439999994)
(5-pyridin-2-ylthiophen-2-yl)methanamine,dihydrochloride
C10H12Cl2N2S (262.00982120000003)
Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate
Benzene, 4-bromo-1-fluoro-2-[(2-methoxyethoxy)methyl]-
C10H12BrFO2 (262.00046439999994)
Benzene, 1-bromo-3-fluoro-5-[(2-methoxyethoxy)methyl]-
C10H12BrFO2 (262.00046439999994)
2,2,2-trichloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
5-CHLOROMETHYL-3-(4-TRIFLUOROMETHYL-PHENYL)-[1,2,4]OXADIAZOLE
5-(chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
N-(2-CHLORO-5-TRIFLUOROMETHYL-PHENYL)-2-CYANOACETAMIDE
(6-thiophen-2-ylpyridin-3-yl)methanamine,dihydrochloride
C10H12Cl2N2S (262.00982120000003)
2-FLUORO-4-(TRIFLUOROMETHYL)BENZENE-1-SULFONYL CHLORIDE
2-[(2-chlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
C10H12Cl2N2S (262.00982120000003)
3-phosphonato-D-glyceroyl phosphate(4-)
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(E)-2-(4-hydroxyphenyl)-N-(sulfonatooxy)ethenimidothioate
5-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-5,6-dihydroxy-1,4-dioxane-2,3-dione
N-[(3Z)-4,5-dichloro-3H-1,2-dithiol-3-ylidene]pyridin-2-amine
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate
3-phosphonato-D-glyceroyl phosphate(4-)
Tetraanion of 3-phospho-D-glyceroyl dihydrogen phosphate arising from deprotonation of both phosphate groups.
(2E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate
A prenol phosphate comprising (2E)-4-hydroxy-3-methylbut-2-en-1-ol having an O-diphosphate substituent.