Exact Mass: 205.97014719999999
Exact Mass Matches: 205.97014719999999
Found 334 metabolites which its exact mass value is equals to given mass value 205.97014719999999
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,6-Dichloro-4-nitroaniline
C6H4Cl2N2O2 (205.96498240000003)
CONFIDENCE standard compound; INTERNAL_ID 179; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4225; ORIGINAL_PRECURSOR_SCAN_NO 4224 CONFIDENCE standard compound; INTERNAL_ID 179; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4174; ORIGINAL_PRECURSOR_SCAN_NO 4172 CONFIDENCE standard compound; INTERNAL_ID 179; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4176; ORIGINAL_PRECURSOR_SCAN_NO 4174 CONFIDENCE standard compound; INTERNAL_ID 179; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4190; ORIGINAL_PRECURSOR_SCAN_NO 4188 KEIO_ID D048
Etidronic acid
Etidronic acid is only found in individuals that have used or taken this drug. It is a diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover. [PubChem]Bisphosphonates, when attached to bone tissue, are absorbed by osteoclasts, the bone cells that breaks down bone tissue. Although the mechanism of action of non-nitrogenous bisphosphonates has not been fully elucidated, available data suggest that they bind strongly to hydroxyapatite crystals in the bone matrix, preferentially at the sites of increased bone turnover and inhibit the formation and dissolution of the crystals. Other actions may include direct inhibition of mature osteoclast function, promotion of osteoclast apoptosis, and interference with osteoblast-mediated osteoclast activation. Etidronic acid does not interfere with bone mineralization. In malignancy-related hypercalcemia, etidronic acid decreases serum calcium by inhibiting tumour-induced bone resorption and reducing calcium flow from the resorbing bone into the blood. Etidronic acid also reduces morbidity of osteolytic bone metastases by inhibiting tumour-induced bone resorption. Etidronic acid may promote osteoclast apoptosis by competing with adenosine triphosphate (ATP) in the cellular energy metabolism. The osteoclast initiates apoptosis and dies, leading to an overall decrease in the breakdown of bone. Food contaminant arising from its use as a boiler water additive for prepn. of steam used in food processing. Component of antimicrobial washes for poultry carcasses and fruit M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates KEIO_ID E010
2-Chloro-5-methylmaleylacetate
This compound belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain
3-Chloro-2-methylmaleylacetate
This compound belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain
4-(phosphooxymethyl)-2-furancarboxaldehyde
A member of the class of furans that is 2-furfural substituted at position 4 by a phosphooxymethyl group.
5-Sulfoxymethylfurfural
5-Sulfoxymethylfurfural belongs to the family of Sulfuric Acid Monoesters. These are organic compounds containing the sulfuric acid monoester functional group
Pyrogallol-1-O-sulphate
Pyrogallol-1-O-sulphate is a conjugate of Pyrogallol and sulphate.Pyrogallol or benzene-1,2,3-triol is a benzenetriol. The aquatic plant Myriophyllum spicatum produces pyrogallic acid. (Wikipedia). Pyrogallol sulfate in the urine is a biomarker for the consumption of legumes.
Pyrogallol-2-O-sulphate
Pyrogallol-2-O-sulphate is a conjugate of Pyrogallol and sulphate. Pyrogallol or benzene-1,2,3-triol is a benzenetriol. The aquatic plant Myriophyllum spicatum produces pyrogallic acid. (Wikipedia)
2-Hydroxy-4-trifluoromethyl benzoic acid
2-Hydroxy-4-trifluoromethyl benzoic acid is a metabolite of triflusal. Triflusal is a platelet aggregation inhibitor that was discovered and developed in the Uriach Laboratories, and commercialised in Spain since 1981. Currently, it is available in 25 countries in Europe, Asia, Africa and America. It is a drug of the salicylate family but it is not a derivative of acetylsalicylic acid (ASA). Trade names include Disgren, Grendis, Aflen and Triflux (Wikipedia) D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
[(5-methyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Saccharin sodium
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents Sweetener
2-Methyl-3-furyl methylthiomethyl disulfide
It is used as a food additive .
3,5-Dichloro-4-hydroxybenzoic acid
C7H4Cl2O3 (205.95374940000002)
3,5-DICHLOROSALICYLIC ACID
C7H4Cl2O3 (205.95374940000002)
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride
(4-CHLORO-5-METHYL-PYRIMIDIN-2-YL)-ISOPROPYL-AMINE
C5H4BrClN2 (205.92463539999997)
2-PYRIDIN-4-YL-THIAZOLE-5-CARBOXYLIC ACID
C9H6N2O2S (206.01499760000002)
1-(2,4-Dichloro-5-fluorophenyl)ethanone
C8H5Cl2FO (205.97014719999999)
5-butan-2-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione
2,4-Dichloro-6-ethoxymethyl-pyrimidine
C7H8Cl2N2O (206.00136579999997)
2-CHLORO-4,5-DIFLUOROPHENYLACETIC ACID
C8H5ClF2O2 (205.99461240000002)
3-Chloro-5-(trifluoromethyl)-2-pyridinecarbonitrile
C7H2ClF3N2 (205.98585980000001)
BENZENAMINE, 2,3-DICHLORO-4-NITRO-
C6H4Cl2N2O2 (205.96498240000003)
5-Chloro-3-(trifluoromethyl)picolinonitrile
C7H2ClF3N2 (205.98585980000001)
4-Chloro-6-fluoro-3-quinolinecarbonitrile
C10H4ClFN2 (206.00470259999997)
2-Bromo-1-ethoxy-1,1,2-trifluoroethane
C4H6BrF3O (205.95540819999997)
4-AMINO-2,6-DICHLORONICOTINIC ACID
C6H4Cl2N2O2 (205.96498240000003)
5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole
C8H5ClF2O2 (205.99461240000002)
5-(PYRIMIDIN-2-YLSULFANYL)-FURAN-2-CARBALDEHYDE
C9H6N2O2S (206.01499760000002)
2-Chloro-5-(trifluoromethyl)nicotinonitrile
C7H2ClF3N2 (205.98585980000001)
2,6-Dichloro-3-methyl-5-nitropyridine
C6H4Cl2N2O2 (205.96498240000003)
2-thiophen-2-ylpyrimidine-5-carboxylic acid
C9H6N2O2S (206.01499760000002)
4-phenylthiadiazole-5-carboxylic acid
C9H6N2O2S (206.01499760000002)
4-(DIFLUOROMETHOXY)BENZOYLCHLORIDE
C8H5ClF2O2 (205.99461240000002)
Potassium 1-carboxyvinyl hydrogen phosphate
Potassium 1-carboxyvinyl hydrogenphosphate is an endogenous metabolite.
4-Chlor-7-fluorchinolin-3-carbonitril
C10H4ClFN2 (206.00470259999997)
3,6-Dichlorosalicylic acid
C7H4Cl2O3 (205.95374940000002)
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5,6-Dihydro-4H-pyrrolo[3,4-d]thiazole Hydrobromide
2,6-Dichloro-4-methyl-3-nitropyridine
C6H4Cl2N2O2 (205.96498240000003)
2-(bromomethyl)-5-chloropyrimidine
C5H4BrClN2 (205.92463539999997)
2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
C9H6N2O2S (206.01499760000002)
4-PYRIDIN-2-YL-THIAZOLE-2-CARBOXYLIC ACID
C9H6N2O2S (206.01499760000002)
3,5-Dichloro-2,6-dihydroxybenzaldehyde
C7H4Cl2O3 (205.95374940000002)
2-Chloro-6-(trifluoromethyl)-4-pyridinecarbonitrile
C7H2ClF3N2 (205.98585980000001)
5-Bromo-4-chloro-2-methylpyrimidine
C5H4BrClN2 (205.92463539999997)
Methyl 4,6-dichloro-5-pyrimidinecarboxylate
C6H4Cl2N2O2 (205.96498240000003)
4-chloro-2,6-difluorophenylacetic acid
C8H5ClF2O2 (205.99461240000002)
5-bromo-2-(chloromethyl)pyrimidine
C5H4BrClN2 (205.92463539999997)
2-Chloro-1-(2-chloro-5-fluorophenyl)ethanone
C8H5Cl2FO (205.97014719999999)
4-Thiazolecarboxylicacid,2-amino-5-chloro-,ethylester(9CI)
2-acetyl-4,5-dichloropyridazin-3-one
C6H4Cl2N2O2 (205.96498240000003)
2-(2-Chlorophenyl)-2,2-difluoroacetic acid
C8H5ClF2O2 (205.99461240000002)
2-chloro-6-fluoro-3-methylbenzoyl chloride
C8H5Cl2FO (205.97014719999999)
2-amino-5-bromo-4-fluoropyridin-3-ol
C5H4BrFN2O (205.94910059999995)
2-Chloro-1-(2-chloro-3-fluorophenyl)ethanone
C8H5Cl2FO (205.97014719999999)
Ethanone,2,2,2-trifluoro-1-(4-mercaptophenyl)-(9CI)
Methyl 3,5-dichloro-2-pyrazinecarboxylate
C6H4Cl2N2O2 (205.96498240000003)
2,4-DICHLORO-6-METHYL-3-NITROPYRIDINE
C6H4Cl2N2O2 (205.96498240000003)
1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)-
C6H8Cl2N4 (206.01259879999998)
Methyl 4,6-dichloropyrimidine-2-carboxylate
C6H4Cl2N2O2 (205.96498240000003)
Methyl 3,6-dichloro-2-pyrazinecarboxylate
C6H4Cl2N2O2 (205.96498240000003)
3-Amino-2,6-dichloroisonicotinic acid
C6H4Cl2N2O2 (205.96498240000003)
(2-CHLORO-1,1,2-TRIFLUOROETHYL)DIETHYLAMINE
C8H5Cl2FO (205.97014719999999)
1-(2,3-dichloro-6-fluorophenyl)ethanone
C8H5Cl2FO (205.97014719999999)
L-Arabinonic acid,calcium salt (2:1)
C5H10CaO6++ (206.01032700000002)
2,4-Dichloro-5-(ethoxymethyl)pyrimidine
C7H8Cl2N2O (206.00136579999997)
Thieno[3,2-c]pyridine-3-carbonitrile, 2-(methylthio)- (9CI)
Methyl2,4-dichloropyrimidine-6-carboxylate
C6H4Cl2N2O2 (205.96498240000003)
Methyl 4,6-dichloro-3-pyridazinecarboxylate
C6H4Cl2N2O2 (205.96498240000003)
Methyl 3,6-dichloro-4-pyridazinecarboxylate
C6H4Cl2N2O2 (205.96498240000003)
2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
C9H6N2O2S (206.01499760000002)
4-Bromo-1,2-pyrazolidine dicarboxaldehyde
C5H7BrN2O2 (205.96908620000002)
3-chloro-5-(difluoromethoxy)benzaldehyde
C8H5ClF2O2 (205.99461240000002)
2-(3-PYRIDYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID
C9H6N2O2S (206.01499760000002)
Benzenamine,2,4-dichloro-6-nitro-
C6H4Cl2N2O2 (205.96498240000003)
5-(2-methylpropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
5-Bromo-4-chloro-6-methylpyrimidine
C5H4BrClN2 (205.92463539999997)
4-Chloro-N-methylpyridine-2-carboxamide hydrochloride
C7H8Cl2N2O (206.00136579999997)
Methyl 2-chloro-4,5-difluorobenzoate
C8H5ClF2O2 (205.99461240000002)
Methyl 2,4-dichloropyrimidine-5-carboxylate
C6H4Cl2N2O2 (205.96498240000003)
5-(broMoMethyl)-2-chloropyriMidine
C5H4BrClN2 (205.92463539999997)
2,4,5-TRIFLUORO-3-HYDROXYBENZOIC ACID METHYL ESTER
2-METHYL-6-(TRIFLUOROMETHYL)IMIDAZO[2,1-B]THIAZOLE
5-Bromo-2-chloro-4-methylpyrimidine
C5H4BrClN2 (205.92463539999997)
4-(Bromomethyl)-2-chloropyrimidine
C5H4BrClN2 (205.92463539999997)
2-(Trifluoromethoxy)benzoic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-(1,2,3-Thiadiazol-4-yl)benzoic acid
C9H6N2O2S (206.01499760000002)
3-chloro-2,6-difluorophenylacetic acid
C8H5ClF2O2 (205.99461240000002)
6-Chloro-2-fluoro-3-methylbenzoyl chloride
C8H5Cl2FO (205.97014719999999)
2-Chloro-3,6-difluorophenylacetic acid
C8H5ClF2O2 (205.99461240000002)
4-PYRIDIN-4-YL-THIAZOLE-2-CARBOXYLIC ACID
C9H6N2O2S (206.01499760000002)
4-Pyridin-3-yl-1,3-thiazole-2-carboxylic acid
C9H6N2O2S (206.01499760000002)
POTASSIUM TRIFLUORO(5-METHYL-1,3,4-THIADIAZOL-2-YL)BORATE
[(5-methyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
3-(bromomethyl)-5,5-dimethyldihydrofuran-2(3H)-one
3,3,3-Trichloro-2-hydroxypropanehydrazide
C3H5Cl3N2O2 (205.94166000000004)
Pyrogallol-1-O-sulphate
Pyrogallol-1-O-sulphate is a conjugate of Pyrogallol and sulphate.Pyrogallol or benzene-1,2,3-triol is a benzenetriol. The aquatic plant Myriophyllum spicatum produces pyrogallic acid. (Wikipedia). Pyrogallol sulfate in the urine is a biomarker for the consumption of legumes.
Pyrogallol-2-O-sulphate
Pyrogallol-2-O-sulphate is a conjugate of Pyrogallol and sulphate. Pyrogallol or benzene-1,2,3-triol is a benzenetriol. The aquatic plant Myriophyllum spicatum produces pyrogallic acid. (Wikipedia)
Etidronic acid
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
4-Trifluoromethylsalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(2Z)-3-bromohept-2-enoic acid
A hept-2-enoic acid carrying a bromo- substituent at C-3.
4,6-dichloro-5-methyl-1,3-benzenediol; mono-me ether
{"Ingredient_id": "HBIN010068","Ingredient_name": "4,6-dichloro-5-methyl-1,3-benzenediol; mono-me ether","Alias": "NA","Ingredient_formula": "C8H8Cl2O2","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7905","PubChem_id": "NA","DrugBank_id": "NA"}