Exact Mass: 247.9828
Exact Mass Matches: 247.9828
Found 380 metabolites which its exact mass value is equals to given mass value 247.9828,
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
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
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.
Triflusal
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
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.
3,5,9-trihydroxy-7,8-dihydrocyclopenta[g]chromene-2,6-dione|rubusin A
1-Chloro-4-[5-(1, 3-pentadiynyl)-2-thienyl]-3-butyn-2-ol, 9CI
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
2-(1-propynyl)-5-(6-chloro-5-hydroxyhex-3-yn-1-ynyl)-thiophene|5--6-chloro-5-hydroxyhexa-3,5-diyne
2-(1-propynyl)-5-(5-chloro-6-hydroxyhex-3-yn-1-ynl)-thiophene
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
2-Acetyl-3,5,8-trihydroxy-1,4-naphthochinon|2-acetyl-3,5,8-trihydroxy-1,4-naphthoquinone|2-Hydroxy-3-acetyl-naphthazarin|3-Acetyl-2-hydroxy-naphthazarin
LINURON
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
1-chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol
2-[(4-CHLOROPHENYL)SULFONYL]-N-HYDROXYETHANIMIDAMIDE
4,5-Dichloro-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one
2,6-Dihydroxypyrrolo(3,4-f)isoindole-1,3,5,7(2H,6H)-tetrone
3-(2-METHYL-PROPANE-2-SULFONYL)-THIOPHENE-2-CARBOXYLIC ACID
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
3-Quinolinecarbonitrile,4-hydroxy-8-(methylsulfonyl)-
3-CHLORO-2-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonyl chloride
BenzoicAcid,4-Bromo-5-Fluoro-2-Hydroxy,MethylEster
2-BROMO-1-METHYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID
2-(4-CHLOROPHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE
5-METHYL-2-(TRIFLUOROMETHYL)-3-FURANSULFONYL CHLORIDE
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
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
ALPHA-(TRIFLUOROMETHYL)-3-PYRIDINEMETHANAMINEHYDROCHLORIDE
4-CHLORO-3-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid dianhydride
2-AMINO-5,6-DIHYDRO-4H-BENZOTHIAZOL-7-ONE HYDROBROMIDE
2-(6-oxo-[1,3]dioxolo[4,5-g]chromen-8-yl)acetic acid
3-Bromo-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
METHYL 5-BROMO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLATE
7-Chloro-6-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride
(4-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE
4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylic acid
5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
4-ETHYL BENZENESULFONYL CHLORIDE-FUNCTIONALIZED SILICA GEL
ethyl 2-hydroxypyrimidine-5-carboxylate hydrochloride
1-[6-(Trifluoromethyl)-2-pyridinyl]methanamine dihydrochloride
5-Methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride
4-Chloro-2-(methylsulfonyl)thieno[2,3-d]pyrimidine
6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
METHYL 4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLATE
2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL
CalciuM Saccharate
C471 - Enzyme Inhibitor > C1017 - Glucuronidase Inhibitor
3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonyl chloride
4-chloro-1-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine
5-Fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione
[2-(2-CHLORO-ACETYLAMINO)-THIAZOL-5-YL]-ACETIC ACID METHYL ESTER
Potassium bisaccharate
D-Glucaric acid potassium (Potassium D-glucarate) is an endogenous metabolite.
2-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carbaldehyde
3-TRIFLUOROMETHANESULFONYLOXY-BUT-2-ENOIC ACID METHYL ESTER
1-chloro-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
Triflusal
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
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
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
3-(1,1-Dioxothiolan-3-yl)-5-methyl-2-sulfanylideneimidazolidin-4-one
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.
