Exact Mass: 205.98850960000001
Exact Mass Matches: 205.98850960000001
Found 458 metabolites which its exact mass value is equals to given mass value 205.98850960000001
,
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
Flaviolin
A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone having three hydroxy substituents placed at the 2-, 5- and 7-positions.
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 .
7-Hydroxy-2-oxo-2H-chromen-8-carbonsaeure|7-hydroxy-2-oxo-2H-chromene-8-carboxylic acid|7-Hydroxy-8-carboxy-cumarin|8-carboxy-7-hydroxycoumarin
3,5-Dichloro-4-hydroxybenzoic acid
C7H4Cl2O3 (205.95374940000002)
Pisonin D
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5 and a methylenedioxy group across positions 6 and 7. It has been isolated from Pisonia aculeata.
3,5-DICHLOROSALICYLIC ACID
C7H4Cl2O3 (205.95374940000002)
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
4-Chloro-2-phenyl-1H-imidazole-5-carbaldehyde
C10H7ClN2O (206.02468819999999)
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura
1,2,3,4-TETRAHYDRO-2,7-NAPHTHYRIDINE DIHYDROCHLORIDE
6-(4-CHLOROPHENYL)-3(2H)PYRIDAZINONE
C10H7ClN2O (206.02468819999999)
6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride
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
5-chloro-2-methyl-6-phenyl-2,3-dihydropyridazin-3-one
C10H7ClN2O (206.02468819999999)
2,4-Dichloro-6-ethoxymethyl-pyrimidine
C7H8Cl2N2O (206.00136579999997)
2-CHLORO-4,5-DIFLUOROPHENYLACETIC ACID
C8H5ClF2O2 (205.99461240000002)
1H-Indol-6-amine,2,3-dihydro-, hydrochloride (1:2)
1-(2-Chlorophenyl)-1H-pyrazole-4-carbaldehyde
C10H7ClN2O (206.02468819999999)
3-Chloro-5-(trifluoromethyl)-2-pyridinecarbonitrile
C7H2ClF3N2 (205.98585980000001)
2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-5-CARBOXYLIC ACID
BENZENAMINE, 2,3-DICHLORO-4-NITRO-
C6H4Cl2N2O2 (205.96498240000003)
5-Chloro-3-(trifluoromethyl)picolinonitrile
C7H2ClF3N2 (205.98585980000001)
2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
METHYL 4-(TRIFLUOROMETHYL)PYRIMIDINE-2-CARBOXYLATE
2,2,2-trifluoro-1-(5-fluoro-2-methylphenyl)ethanone
5-amino-2-(trifluoromethyl)pyridine-4-carboxylic acid
4-Chloro-6-fluoro-3-quinolinecarbonitrile
C10H4ClFN2 (206.00470259999997)
3-CHLORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE
C10H7ClN2O (206.02468819999999)
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)
METHYL 6-[(TERT-BUTOXYCARBONYL)AMINO]NICOTINATE
C10H7FN2S (206.03139539999998)
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)
4-(1H-Pyrazol-1-yl)benzoyl chloride
C10H7ClN2O (206.02468819999999)
1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
C10H7ClN2O (206.02468819999999)
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-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
C9H6N2O2S (206.01499760000002)
4-PYRIDIN-2-YL-THIAZOLE-2-CARBOXYLIC ACID
C9H6N2O2S (206.01499760000002)
6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2,3-dioxo-
3,5-Dichloro-2,6-dihydroxybenzaldehyde
C7H4Cl2O3 (205.95374940000002)
2-Chloro-6-(trifluoromethyl)-4-pyridinecarbonitrile
C7H2ClF3N2 (205.98585980000001)
5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDINE DIHYDROCHLORIDE
Methyl 4,6-dichloro-5-pyrimidinecarboxylate
C6H4Cl2N2O2 (205.96498240000003)
4-chloro-2,6-difluorophenylacetic acid
C8H5ClF2O2 (205.99461240000002)
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)
6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile
C10H4F2N2O (206.02916779999998)
2-chloro-6-fluoro-3-methylbenzoyl chloride
C8H5Cl2FO (205.97014719999999)
4-(4-Chlorophenyl)-2(1H)-pyrimidinone
C10H7ClN2O (206.02468819999999)
2-amino-5-bromo-4-fluoropyridin-3-ol
C5H4BrFN2O (205.94910059999995)
2-Chloro-1-(2-chloro-3-fluorophenyl)ethanone
C8H5Cl2FO (205.97014719999999)
2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic acid
4-(3-chloro-1H-pyridazin-6-ylidene)cyclohexa-2,5-dien-1-one
C10H7ClN2O (206.02468819999999)
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)
1-(2-chloropyridin-3-yl)pyrrole-2-carbaldehyde
C10H7ClN2O (206.02468819999999)
Methyl 4,6-dichloropyrimidine-2-carboxylate
C6H4Cl2N2O2 (205.96498240000003)
3-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE
C10H7ClN2O (206.02468819999999)
2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylic acid
Methyl 3,6-dichloro-2-pyrazinecarboxylate
C6H4Cl2N2O2 (205.96498240000003)
3-Amino-2,6-dichloroisonicotinic acid
C6H4Cl2N2O2 (205.96498240000003)
5,7-DIFLUORO-4-HYDROXYQUINOLINE-3-CARBONITRILE
C10H4F2N2O (206.02916779999998)
(2-CHLORO-1,1,2-TRIFLUOROETHYL)DIETHYLAMINE
C8H5Cl2FO (205.97014719999999)
1-(2,3-dichloro-6-fluorophenyl)ethanone
C8H5Cl2FO (205.97014719999999)
2-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE
C10H7ClN2O (206.02468819999999)
2-Chloro-4-(1H-pyrazol-1-yl)benzaldehyde
C10H7ClN2O (206.02468819999999)
L-Arabinonic acid,calcium salt (2:1)
C5H10CaO6++ (206.01032700000002)
3-(4-chloro-phenyl)-1H-pyrazole-4-carbaldehyde
C10H7ClN2O (206.02468819999999)
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-chloro-3-quinolinecarboxaldehyde oxime
C10H7ClN2O (206.02468819999999)
2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
C9H6N2O2S (206.01499760000002)
4-Bromo-1,2-pyrazolidine dicarboxaldehyde
C5H7BrN2O2 (205.96908620000002)
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanone
3-chloro-5-(difluoromethoxy)benzaldehyde
C8H5ClF2O2 (205.99461240000002)
2-(3-PYRIDYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID
C9H6N2O2S (206.01499760000002)
(Methyl 2-bromo-5-nitro-phenylacetate)
C7H11ClN2OS (206.02805859999998)
1-PHENYL-1H-PYRAZOLE-5-CARBONYLCHLORIDE
C10H7ClN2O (206.02468819999999)
Benzenamine,2,4-dichloro-6-nitro-
C6H4Cl2N2O2 (205.96498240000003)
2-Butenedioic acid,2-chloro-, diethyl ester, (2Z)- (9CI)
1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
C10H7ClN2O (206.02468819999999)
5-(2-methylpropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
7-AMINO-6-CYANO-2-(METHYLTHIO)-1,2,4-TRIAZOLO(1,5-A)PYRIMIDINE
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)
2,4,5-TRIFLUORO-3-HYDROXYBENZOIC ACID METHYL ESTER
1,3-DICHLORO-1,3-DIETHYLDIALUMINOXANE, 1 0 WT. SOLUTION IN TOLUENE
4-Methyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid
4-AMINO-2-(METHYLTHIO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
2-METHYL-6-(TRIFLUOROMETHYL)IMIDAZO[2,1-B]THIAZOLE
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
6-chloro-5,6-dihydroimidazo[1,5-a]pyrido[3,2-e]pyrazine
4,6-dioxo-1,5-dihydro-1,5-naphthyridine-3-carboxylic acid
1-(5-CHLORO-2-PYRIDINYL)-1H-PYRROLE-2-CARBALDEHYDE
C10H7ClN2O (206.02468819999999)
1,4-dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
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
4-Chloro-6-phenyl-3(2H)-pyridazinone
C10H7ClN2O (206.02468819999999)
[(5-methyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
3-(bromomethyl)-5,5-dimethyldihydrofuran-2(3H)-one
2-Chloro-4-(2-hydroxyphenyl)pyrimidine
C10H7ClN2O (206.02468819999999)
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
[5-(ammoniomethyl)-3-furyl]methyl phosphate(1-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of [5-(aminomethyl)-3-furyl]methyl phosphate; major species at pH 7.3.
(2Z)-3-bromohept-2-enoic acid
A hept-2-enoic acid carrying a bromo- substituent at C-3.
6-chloro-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
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"}