Exact Mass: 249.9804788
Exact Mass Matches: 249.9804788
Found 329 metabolites which its exact mass value is equals to given mass value 249.9804788
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Heptenophos
C9H12ClO4P (250.01617119999997)
Heptenophos is an Agricultural and veterinary insecticide. Heptenophos is used for treatment of ectoparasites in cattle, pigs, sheep and domestic pets. Also for control of aphids in glasshouse crop D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Bisphenol S
CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7059; ORIGINAL_PRECURSOR_SCAN_NO 7056 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3374; ORIGINAL_PRECURSOR_SCAN_NO 3371 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3401; ORIGINAL_PRECURSOR_SCAN_NO 3398 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3420; ORIGINAL_PRECURSOR_SCAN_NO 3416 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7124; ORIGINAL_PRECURSOR_SCAN_NO 7120 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3421; ORIGINAL_PRECURSOR_SCAN_NO 3419 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7099; ORIGINAL_PRECURSOR_SCAN_NO 7095 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3383; ORIGINAL_PRECURSOR_SCAN_NO 3380 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7143; ORIGINAL_PRECURSOR_SCAN_NO 7141 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7085; ORIGINAL_PRECURSOR_SCAN_NO 7082 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7120; ORIGINAL_PRECURSOR_SCAN_NO 7116 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3402; ORIGINAL_PRECURSOR_SCAN_NO 3400 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1086 CONFIDENCE standard compound; INTERNAL_ID 4240 CONFIDENCE standard compound; INTERNAL_ID 8644 CONFIDENCE standard compound; INTERNAL_ID 2370
4,4-Dichlorobenzophenone
C13H8Cl2O (249.99521779999998)
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1068
2-(4-Chlorophenyl)-3,3-dichloropropenoate
C9H5Cl3O2 (249.93551200000005)
Thienodolin
C11H7ClN2OS (249.99676019999998)
An indole alkaloid that is a thienoindole ring with carboxamide group and chlorine substituents at positions 2 and 6 respectively.
Cyclobrassinin sulfoxide
Cyclobrassinin sulfoxide is found in brassicas. Cyclobrassinin sulfoxide is isolated from leaves of brown mustard Brassica juncea (Cruciferae). Isolated from leaves of brown mustard Brassica juncea (Cruciferae). Cyclobrassinin sulfoxide is found in brassicas.
(S)-Spirobrassinin
(S)-Spirobrassinin is found in brassicas. Phytoalexin of Raphanus sativus var. hortensis (Japanese radish Daikon
3,4-Dihydroxyphenylglycol O-sulfate
3, 4-Dihydroxyphenylglycol O-sulfate is a norepinephrine metabolite, a transmitter produced by sympathetic nerves, in particular those innervating mesenteric organs. This sulfate conjugate is produced by extrahepatic tissues (mesenteric organs) and eliminated by the kidneys. (PMID: 8627312) [HMDB] 3, 4-Dihydroxyphenylglycol O-sulfate is a norepinephrine metabolite, a transmitter produced by sympathetic nerves, in particular those innervating mesenteric organs. This sulfate conjugate is produced by extrahepatic tissues (mesenteric organs) and eliminated by the kidneys. (PMID: 8627312).
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid
C9H8Cl2O4 (249.97996279999998)
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid is a food additive; residue present in orthomycin antibiotics. D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Food additive; residue present in orthomycin antibiotics
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide is found in onion-family vegetables. 2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide is isolated from garli Isolated from garlic. 2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide is found in onion-family vegetables.
Bis(methylsulfonylmethyl) disulfide
Bis(methylsulfonylmethyl) disulfide is found in mushrooms. Bis(methylsulfonylmethyl) disulfide is isolated from the edible shiitake mushroom (Lentinus edodes). Isolated from the edible shiitake mushroom (Lentinus edodes). Bis(methylsulfonylmethyl) disulfide is found in mushrooms and onion-family vegetables.
Hydroxymethoxyphenylcarboxylic acid-O-sulphate
Hydroxymethoxyphenylcarboxylic acid-O-sulphate is a conjugate of hydroxymethoxyphenylcarboxylic acid and sulphate.
4-Chloro-5-sulfamoylanthranilic acid
4-Chloro-5-sulfamoylanthranilic acid is a metabolite of furosemide. Furosemide or frusemide is a loop diuretic used in the treatment of congestive heart failure and edema. It is most commonly marketed by Sanofi-Aventis under the brand name Lasix. It has also been used to prevent Thoroughbred and Standardbred race horses from bleeding through the nose during races. Along with some other diuretics, furosemide is also included on the World Anti-Doping Agencys banned drug list due to its alleged use as a masking agent for other drugs. (Wikipedia)
3,5-dihydroxy-4-(sulfooxy)benzoic acid
3,5-dihydroxy-4-(sulfooxy)benzoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4,5-trihydroxybenzoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
1-(5-Phenyl-1,2,4-thiadiazol-3-yl)-3-sulfanylideneurea
2-<3,4-dihydroxybut-1-inyl>-dithiophene|4-[2,2]bithiophenyl-5-yl-but-3-yne-1,2-diol|5-(3,4-dihydroxy-1-butynyl)-2,2-bithiophene|5-(3,4-dihydroxy-1-butynyl)2,2-bithiophene|5-(3,4-dihydroxybut-1-ynyl)-2,2-bithiophene|5-(3.4-dihydroxy-1-butynyl)-2,2-bithiophene|5-<3,4-dihydroxybut-1-inyl>bithienyl-(2,2)
2-Hydroxy-alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
C10H12Cl2O3 (250.01634620000002)
HEPTENOPHOS
C9H12ClO4P (250.01617119999997)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3114
Dichloroisoeverninic acid
C9H8Cl2O4 (249.97996279999998)
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Allyl 3-(allylsulfonyl)-1-propenyl disulfide
4-(bromomethyl)-1-methyl-3-phenylpyrazole
C11H11BrN2 (250.01055459999998)
5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid
4-Amino-6-bromo-2,8-dimethylquinoline
C11H11BrN2 (250.01055459999998)
2-Dichloromethyl-6-Methyl-imidazo[1,2-a]pyridine hydrochloride
5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOLE-2-THIOL
N-(5-bromopyridin-2-yl)methanesulfonamide
C6H7BrN2O2S (249.94115820000002)
3-(2-Chloro-4-fluorophenyl)benzoic acid
C13H8ClFO2 (250.01968300000001)
2-(4-Chlorophenoxy)-6-fluorobenzaldehyde
C13H8ClFO2 (250.01968300000001)
1,3,5-Tris(chloromethyl)-2,4-dimethylbenzene
C11H13Cl3 (250.00827880000003)
7-bromonaphthalene-1-carboxylic acid
C11H7BrO2 (249.96293820000002)
8-Bromo-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
C11H11BrN2 (250.01055459999998)
2-CHLORO-4-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
2-CHLOROMETHYL-9-THIA-1,4A-DIAZA-FLUOREN-4-ONE
C11H7ClN2OS (249.99676019999998)
3-bromonaphthalene-1-carboxylic acid
C11H7BrO2 (249.96293820000002)
[2-(4-chlorophenyl)sulfanylphenyl]methanol
C13H11ClOS (250.02191059999998)
Trimethylsilyl difluoro(fluorosulfonyl)acetate
C5H9F3O4SSi (249.99429099999998)
4-CHLORO-6-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
2-CHLORO-3-FLUORO-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
4-CHLORO-3-FLUORO-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
4-CHLORO-4-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C13H8ClFO2 (250.01968300000001)
4-Chloro-4-fluoro-2-biphenylcarboxylic acid
C13H8ClFO2 (250.01968300000001)
4-BROMO-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE
C11H11BrN2 (250.01055459999998)
N-(5-Bromopyridin-3-yl)methanesulfonamide
C6H7BrN2O2S (249.94115820000002)
5-[(4-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione
1-(4-BROMOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
C11H11BrN2 (250.01055459999998)
1-(8-Bromoquinolin-4-yl)-N-methylmethanamine
C11H11BrN2 (250.01055459999998)
4-(3,4-dichlorophenyl)benzaldehyde
C13H8Cl2O (249.99521779999998)
4-BROMO-1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE
1-BROMO-2-METHOXYMETHYLNAPHTHALENE
C12H11BrO (249.99932159999997)
5-Bromo-N-methylpyridine-3-sulfonamide
C6H7BrN2O2S (249.94115820000002)
3,5-DICHLORO-2,6-DIMETHOXYBENZOIC ACID
C9H8Cl2O4 (249.97996279999998)
2-(bromomethyl)-6-methoxynaphthalene
C12H11BrO (249.99932159999997)
2-AMINO-5-BROMOBENZENESULPHONAMIDE
C6H7BrN2O2S (249.94115820000002)
1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione
Polyanetholesulfonic Acid Sodium Salt
C10H11NaO4S (250.02757259999998)
potassium,trifluoro-(6-hydroxynaphthalen-2-yl)boranuide
C10H7BF3KO (250.01790979999998)
1-Naphthalenesulfonicacid, 4-diazo-3,4-dihydro-3-oxo-
Furo[3,4]-p-dioxin-5,7-dicarbonyl chloride,2,3-dihydro- (4CI)
C8H4Cl2O5 (249.94357940000003)
2-(4-chlorophenyl)cyclopropane-1-sulfonyl chloride
3-(3,5-dichlorophenyl)benzaldehyde
C13H8Cl2O (249.99521779999998)
1-(2-BROMOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
C11H11BrN2 (250.01055459999998)
1-(3-BROMOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE
C11H11BrN2 (250.01055459999998)
6-(Trifluoromethoxy)quinoxaline, HCl
C9H6ClF3N2O (250.01207319999997)
8-Bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
C11H11BrN2 (250.01055459999998)
Methyl 2,6-dichloro-3-hydroxy-4-methoxybenzoate
C9H8Cl2O4 (249.97996279999998)
Etidronate disodium
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
4-Chloro-5-fluoro-2-hydroxybenzophenone
C13H8ClFO2 (250.01968300000001)
5-bromo-5-deoxy-2,3-o-isopropylidene-d-ribonolactone
C8H11BrO4 (249.98406659999998)
3-(Chlorosulfonyl)-4-methoxybenzoic acid
C8H7ClO5S (249.97027219999998)
4-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
(CHLOROCARBONYLDIFLUOROMETHYL)PHOSPHONIC ACIDDIETHYL ESTER
Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate
C6H7BrN2O2S (249.94115820000002)
4-(3,5-dichlorophenyl)benzaldehyde
C13H8Cl2O (249.99521779999998)
Ethane,1,1,1-[methylidynetris(oxy)]tris[2-chloro-
C7H13Cl3O3 (249.99302380000003)
5-(3-bromophenyl)furan-2-carbaldehyde
C11H7BrO2 (249.96293820000002)
8-fluoro-4h-thieno[3,2-c]chromene-2-carboxylic acid
[5-(4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazol-2-yl] methanol
4-(4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
[4-(Chlorosulfonyl)phenoxy]acetic acid
C8H7ClO5S (249.97027219999998)
Sulfamide, (4-bromophenyl)- (9CI)
C6H7BrN2O2S (249.94115820000002)
3,4-DICHLOROBIPHENYL-3-CARBALDEHYDE
C13H8Cl2O (249.99521779999998)
3-[4-(TRIFLUOROMETHOXY)PHENYL]PROP-2-ENOYL CHLORIDE
ETHYL (S)-2-(TRIFLUOROMETHYLSULFONYLOXY)PROPIONATE
5-[(3-NITROPHENYL)METHYLENE]-1,3-THIAZOLANE-2,4-DIONE
dichlorozinc,N,N,N,N-tetramethylethane-1,2-diamine
(2,5-Dichlorophenyl)(phenyl)methanone
C13H8Cl2O (249.99521779999998)
2-([5-(TRIFLUOROMETHYL)-2-PYRIDYL]SULFONYL)ACETONITRILE
1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
4-(2H-tetrazol-5-yl)tetraaz-3-ene-2-carboximidamide hydrobromide
6-Bromo-3-propylaminopyridine,HCl
C8H12BrClN2 (249.98723219999997)
2H-Isoindole-2-aceticacid, 1,3-dihydro-5-nitro-1,3-dioxo-
Benzenesulfonic acid,4-bromo-, hydrazide
C6H7BrN2O2S (249.94115820000002)
2-amino-3-(4-bromo-3-hydroxyisoxazol-5-yl)propanoic acid
5-Bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine
C11H11BrN2 (250.01055459999998)
5-Chlorosulfonyl-2-Methoxybenzoic Acid
C8H7ClO5S (249.97027219999998)
1,2-BIS(METHYLSULFONYL)-1-(2-CHLOROETHYL)HYDRAZINE
C4H11ClN2O4S2 (249.98487559999998)
3-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)ACRYLIC ACID
1-METHYL-3-(TRIFLUOROMETHYL)-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
2,2,3,3,3-pentafluoropropyl-1,1,2,2-tetrafluoroethyl ether
5-(2-BROMO-PHENYL)-FURAN-2-CARBALDEHYDE
C11H7BrO2 (249.96293820000002)
7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indol-2-amine
C11H11BrN2 (250.01055459999998)
Spirobrassinin
(s)-spirobrassinin is a member of the class of compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole (s)-spirobrassinin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-spirobrassinin can be found in brassicas, which makes (s)-spirobrassinin a potential biomarker for the consumption of this food product.
7-Bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
C11H11BrN2 (250.01055459999998)
2-Cyanoquinolin-8-YL dihydrogen phosphate
C10H7N2O4P (250.01434319999998)
7-Chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
C11H7ClN2OS (249.99676019999998)
3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]propanoic acid ethyl ester
C7H10N2O2S3 (249.99044000000004)
N-[(3-methyl-2-thienyl)methylene]-2-thiophenecarbohydrazide
2-[(4-Methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]acetic acid ethyl ester
C7H10N2O2S3 (249.99044000000004)
N-[(E)-1-thiophen-2-ylethylideneamino]thiophene-2-carboxamide
2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one
Bisphenol S
A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide
2-[(s)-methanesulfinyl]-4h,9h-[1,3]thiazino[6,5-b]indole
(3r)-5'-(methylsulfanyl)-3'h-spiro[indole-3,2'-[1,4]thiazol]-2-ol
(3r)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
2-chloro-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethanol
C13H11ClOS (250.02191059999998)
7,8-dichloro-9-methylpyrido[3,4-b]indole
C12H8Cl2N2 (250.00645079999998)
2-chloro-1-[5-(hept-5-en-1,3-diyn-1-yl)thiophen-2-yl]ethanol
C13H11ClOS (250.02191059999998)
6-hydroxy-2-[(1e)-2-methanesulfinylethenyl]chromen-4-one
5'-(methylsulfanyl)-3'h-spiro[indole-3,2'-[1,4]thiazol]-2-ol
(3s)-5'-(methylsulfanyl)-3'h-spiro[indole-3,2'-[1,4]thiazol]-2-ol
(1r)-2-chloro-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethanol
C13H11ClOS (250.02191059999998)
(1s,2r)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
C10H12Cl2O3 (250.01634620000002)