Exact Mass: 247.969755
Exact Mass Matches: 247.969755
Found 349 metabolites which its exact mass value is equals to given mass value 247.969755
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,2':5',2'-Terthiophene
2,2:5,2-terthiophene is a terthiophene. 2,2:5,2-Terthiophene is a natural product found in Schoenia cassiniana, Lawrencella rosea, and other organisms with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D010575 - Pesticides > D007306 - Insecticides D003879 - Dermatologic Agents D016573 - Agrochemicals 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene. 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene.
Linuron
C9H10Cl2N2O2 (248.01193000000004)
CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4724; ORIGINAL_PRECURSOR_SCAN_NO 4722 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4711; ORIGINAL_PRECURSOR_SCAN_NO 4707 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4718; ORIGINAL_PRECURSOR_SCAN_NO 4717 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4709; ORIGINAL_PRECURSOR_SCAN_NO 4707 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732; ORIGINAL_PRECURSOR_SCAN_NO 4729 CONFIDENCE standard compound; INTERNAL_ID 48; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4811; ORIGINAL_PRECURSOR_SCAN_NO 4807 CONFIDENCE standard compound; EAWAG_UCHEM_ID 160 CONFIDENCE standard compound; INTERNAL_ID 8412 CONFIDENCE standard compound; INTERNAL_ID 4031 CONFIDENCE standard compound; INTERNAL_ID 2323 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
1,1-Bis(4-chlorophenyl)ethylene
C14H10Cl2 (248.01595200000003)
1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene
C14H10Cl2 (248.01595200000003)
Vanillic acid 4-O-sulfate
Vanillic acid 4-O-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Vanillic acid 4-O-sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid
2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3,4-dihydroxyphenyl)acetic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.
4-methoxy-3-(sulfooxy)benzoic acid
4-methoxy-3-(sulfooxy)benzoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-hydroxy-4-methoxybenzoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.
(1,2-Dichloro-2-phenylethenyl)benzene
C14H10Cl2 (248.01595200000003)
Ethene, 1,1-diphenyl-2,2-dichloro-
C14H10Cl2 (248.01595200000003)
Arctic acid
Arctic acid, also known as arctate, 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. Arctic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Arctic acid can be found in burdock, which makes arctic acid a potential biomarker for the consumption of this food product.
Calcium galactarate
Potential cause of turbidity in mucic acid rich wines. Calcium galactarate is found in alcoholic beverages.
Thiourea, N-(3,5-dichlorophenyl)-N-ethyl-
C9H10Cl2N2S (247.99417200000002)
1-Chloro-4-[5-(1, 3-pentadiynyl)-2-thienyl]-3-butyn-2-ol, 9CI
C13H9ClOS (248.00626139999997)
5-(1-propynyl)-2,2-bithienyl-5-carboxylic acid|Arctic acid
(10Z)-10-bromo-3-chloro-alpha-myrcene|(E)-10-Bromo-3-chloro-alpha-myrcen|6-(Z)-bromomethylene-3-chloro-2-methyl-octa-1,7-diene
3-(Z)-bromomethylene-2-chloro-7-methyl-octa-1,6-diene
1-chloro-4-[5-(penta-1,3-diyn-1-yl)-2-thienyl]-but-3-yn-2-ol|2-(4-Chloro-3-hydroxybut-1-ynyl)-5-(penta-1,3-diynyl) thiophene
C13H9ClOS (248.00626139999997)
2-(1-propynyl)-5-(6-chloro-5-hydroxyhex-3-yn-1-ynyl)-thiophene|5--6-chloro-5-hydroxyhexa-3,5-diyne
C13H9ClOS (248.00626139999997)
2-(1-propynyl)-5-(5-chloro-6-hydroxyhex-3-yn-1-ynl)-thiophene
C13H9ClOS (248.00626139999997)
2--5-<3-chlor-4-hydroxy-butin-(1)-yl>-thiophen|2-chloro-4-(5-penta-1,3-diynyl-thiophen-2-yl)-but-3-yn-1-ol|2-Chloro-4-[5-(1,3-Pentadiynyl)-2-thienyl]-3-butyn-1-ol|2-chloro-4-[5-(penta-1,3-diyn-1-yl)-2-thienyl]-but-3-yn-1-ol
C13H9ClOS (248.00626139999997)
LINURON
C9H10Cl2N2O2 (248.01193000000004)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
1-chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol
C13H9OSCl (248.00626139999997)
3,5-dichloro-4-propoxybenzoic acid
C10H10Cl2O3 (248.00069700000003)
2-(2-Bromophenyl)ethanimidamide hydrochloride
C8H10BrClN2 (247.97158299999998)
2-[(4-CHLOROPHENYL)SULFONYL]-N-HYDROXYETHANIMIDAMIDE
2-(3,4-DICHLOROPHENOXY)PROPANOHYDRAZIDE
C9H10Cl2N2O2 (248.01193000000004)
4,5-Dichloro-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one
C9H10Cl2N2O2 (248.01193000000004)
2,6-Dihydroxypyrrolo(3,4-f)isoindole-1,3,5,7(2H,6H)-tetrone
2-BROMO-4,4,4-TRIFLUOROBUTYRIC ACID ETHYL ESTER
C6H8BrF3O2 (247.96597240000003)
3-(2-METHYL-PROPANE-2-SULFONYL)-THIOPHENE-2-CARBOXYLIC ACID
C9H12O4S2 (248.01769919999998)
4-bromo-1-(dimethoxymethyl)-2-fluorobenzene
C9H10BrFO2 (247.98481519999999)
3-BROMO-4-FLUOROBENZALDEHYDE DIMETHYL ACETAL
C9H10BrFO2 (247.98481519999999)
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonyl chloride
4-bromo-2-(dimethoxymethyl)-1-fluorobenzene
C9H10BrFO2 (247.98481519999999)
1-bromo-2-(dimethoxymethyl)-4-fluorobenzene
C9H10BrFO2 (247.98481519999999)
3,5-DICHLORO-4-HYDROXYBENZOIC ACID PROPYL ESTER
C10H10Cl2O3 (248.00069700000003)
2-AMINOBENZO[D]THIAZOLE-6-SULFONYL CHLORIDE
C7H5ClN2O2S2 (247.94809800000002)
BenzoicAcid,4-Bromo-5-Fluoro-2-Hydroxy,MethylEster
2-(4-chlorophenylthio)benzaldehyde
C13H9ClOS (248.00626139999997)
ethyl 2-(2,5-dichlorophenoxy)acetate
C10H10Cl2O3 (248.00069700000003)
1-(4-CHLORO-PHENYL)-2-ISOPROPYLAMINO-ETHANOL
C13H9ClOS (248.00626139999997)
2-BROMO-1-METHYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID
3-BROMO-5-FLUORO-2-METHOXYPHENYLBORONIC&
C7H7BBrFO3 (247.96556139999998)
(6-Bromo-3-fluoro-2-methoxyphenyl)boronic acid
C7H7BBrFO3 (247.96556139999998)
2-(4-CHLOROPHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE
C10H5ClN4O2 (248.01010200000002)
5-Bromo-2-(methylsulfanyl)-4-pyrimidine-carboxylic acid
5-METHYL-2-(TRIFLUOROMETHYL)-3-FURANSULFONYL CHLORIDE
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
2-BROMO-6-FLUORO-3-METHOXYPHENYLBORONIC ACID
C7H7BBrFO3 (247.96556139999998)
6-Bromo-2-fluoro-3-methoxyphenylboronic acid
C7H7BBrFO3 (247.96556139999998)
3-BROMO-6-FLUORO-2-METHOXYPHENYLBORONIC ACID
C7H7BBrFO3 (247.96556139999998)
Sodium thiosulfate hydrate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents D064449 - Sequestering Agents > D002614 - Chelating Agents D020011 - Protective Agents > D000975 - Antioxidants D020011 - Protective Agents > D000931 - Antidotes C26170 - Protective Agent
2-chloro-5-(4-chlorophenyl)pyridine-3-carbonitrile
4-(5-Bromo-1,3-thiazol-2-yl)morpholine
C7H9BrN2OS (247.96189239999998)
2-Bromo-N-(4-methyl-1,3-thiazol-2-yl)propanamide
C7H9BrN2OS (247.96189239999998)
6-Chloro-3-(1H-tetrazol-5-yl)-4H-chromen-4-one
C10H5ClN4O2 (248.01010200000002)
ALPHA-(TRIFLUOROMETHYL)-3-PYRIDINEMETHANAMINEHYDROCHLORIDE
C7H9Cl2F3N2 (248.00948499999998)
methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
1-Bromo-4-(3-chloropropoxy)benzene
C9H10BrClO (247.96034999999998)
1-Bromo-2-(3-chloropropoxy)benzene
C9H10BrClO (247.96034999999998)
3,5-DICHLORO-4-METHOXYBENZOIC ACID ETHYL ESTER
C10H10Cl2O3 (248.00069700000003)
2-(2,4-dichlorophenoxy)propionic acid hydrazide
C9H10Cl2N2O2 (248.01193000000004)
2-AMINO-5,6-DIHYDRO-4H-BENZOTHIAZOL-7-ONE HYDROBROMIDE
C7H9BrN2OS (247.96189239999998)
2-(2,4-dichlorophenoxy)-2-methyl-propanoic acid
C10H10Cl2O3 (248.00069700000003)
4-Bromo-2-fluoro-1-(2-methoxyethoxy)benzene
C9H10BrFO2 (247.98481519999999)
2-(3,5-Dichlorophenoxy)-2-methylpropanoic acid
C10H10Cl2O3 (248.00069700000003)
3-Bromo-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
C8H10BrClN2 (247.97158299999998)
METHYL 5-BROMO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLATE
7-Chloro-6-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride
C9H10Cl2N2O2 (248.01193000000004)
(4-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE
C7H9Cl2F3N2 (248.00948499999998)
1-Bromo-3-chloro-5-isopropoxybenzene
C9H10BrClO (247.96034999999998)
4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylic acid
ethyl 2-(2,6-dichlorophenoxy)acetate
C10H10Cl2O3 (248.00069700000003)
1-Bromo-3-(3-chloropropoxy)benzene
C9H10BrClO (247.96034999999998)
5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
C9H12O4S2 (248.01769919999998)
1-(3-bromopropoxy)-2-chlorobenzene
C9H10BrClO (247.96034999999998)
1-(3-Bromopropoxy)-4-chlorobenzene
C9H10BrClO (247.96034999999998)
3-chloro-6-fluorobenzothiophene-2-carbonyl chloride
4-ETHYL BENZENESULFONYL CHLORIDE-FUNCTIONALIZED SILICA GEL
ethyl 2-hydroxypyrimidine-5-carboxylate hydrochloride
1-[6-(Trifluoromethyl)-2-pyridinyl]methanamine dihydrochloride
C7H9Cl2F3N2 (248.00948499999998)
1-(3-Bromopropoxy)-3-chlorobenzene
C9H10BrClO (247.96034999999998)
5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride
C7H5ClN2O2S2 (247.94809800000002)
4-Chloro-2-(methylsulfonyl)thieno[2,3-d]pyrimidine
C7H5ClN2O2S2 (247.94809800000002)
6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C11H8N2OS2 (248.00780379999998)
METHYL 4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLATE
C9H12O4S2 (248.01769919999998)
2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL
CalciuM Saccharate
C471 - Enzyme Inhibitor > C1017 - Glucuronidase Inhibitor
N-(2,2-DIMETHOXYETHYL)TRICHLOROACETAMIDINE
C6H11Cl3N2O2 (247.98860760000002)
3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonyl chloride
6-bromoimidazo[1,2-a]pyridin-8-ol hydrochloride
C7H6BrClN2O (247.93519959999998)
Ethyl 3-(3,4-Dichlorophenyl)carbazate
C9H10Cl2N2O2 (248.01193000000004)
[2-(2-CHLORO-ACETYLAMINO)-THIAZOL-5-YL]-ACETIC ACID METHYL ESTER
Potassium bisaccharate
D-Glucaric acid potassium (Potassium D-glucarate) is an endogenous metabolite.
4-Bromo-2-fluoro-6-methoxyphenylboronic acid
C7H7BBrFO3 (247.96556139999998)
3-TRIFLUOROMETHANESULFONYLOXY-BUT-2-ENOIC ACID METHYL ESTER
C6H7F3O5S (247.99662880000002)
n-(5-bromopyridin-2-yl)-2-chloroacetamide
C7H6BrClN2O (247.93519959999998)
Butanoic acid,2-(2,4-dichlorophenoxy)-
C10H10Cl2O3 (248.00069700000003)
Ethene, 1,1-diphenyl-2,2-dichloro-
C14H10Cl2 (248.01595200000003)
(1,2-Dichloro-2-phenylethenyl)benzene
C14H10Cl2 (248.01595200000003)
1-chloro-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
C9H9ClO2S2 (247.97324840000002)
2,4-Dichlorophenoxybutyric acid
C10H10Cl2O3 (248.00069700000003)
terthiophene
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D010575 - Pesticides > D007306 - Insecticides D003879 - Dermatologic Agents D016573 - Agrochemicals 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene. 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene.
(4-Amino-1-hydroxy-1-phosphono-butyl)phosphonic acid
(6S)-2,4-dihydroxy-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphepane-6-carboxylic acid
[(2S,3R,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
Iron citrate
D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
Alendronate(1-)
D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
2,4-dihydroxyacetophenone-5-O-sulfate
An acetophenone substituted by hydroxy groups at positions 2 and 4, and by a sulfooxy group at position 5. It is a metabolite of the Chinese medicine Shuangdan granule.
Mesylmethyl(benzyl)sulfone
C9H12O4S2 (248.01769919999998)
A member of the class of benzenes that is benzene substituted by a [(methanesulfonyl)methanesulfonyl]methyl group.
cis-4-(3-Hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid
4-(3-Hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid
Terthiophene
2,2:5,2-terthiophene is a terthiophene. 2,2:5,2-Terthiophene is a natural product found in Schoenia cassiniana, Lawrencella rosea, and other organisms with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D010575 - Pesticides > D007306 - Insecticides D003879 - Dermatologic Agents D016573 - Agrochemicals 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene. 2,2':5',2''-Terthiophene (α-Terthiophene) is an oligomer of the heterocycle thiophene. 2,2':5',2''-Terthiophene has been employed as building block for the organic semi-conductor polythiophene.
2-chloro-6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyn-1-ol
C13H9ClOS (248.00626139999997)
1-chloro-6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyn-2-ol
C13H9ClOS (248.00626139999997)
(2s)-2-chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-ol
C13H9ClOS (248.00626139999997)