Exact Mass: 283.0263
Exact Mass Matches: 283.0263
Found 289 metabolites which its exact mass value is equals to given mass value 283.0263,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Penconazole
CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9666; ORIGINAL_PRECURSOR_SCAN_NO 9664 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9721 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9751; ORIGINAL_PRECURSOR_SCAN_NO 9750 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9670; ORIGINAL_PRECURSOR_SCAN_NO 9668 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9676; ORIGINAL_PRECURSOR_SCAN_NO 9675 CONFIDENCE standard compound; INTERNAL_ID 411; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9793; ORIGINAL_PRECURSOR_SCAN_NO 9792 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3107 D016573 - Agrochemicals D010575 - Pesticides
Procymidone
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3102 CONFIDENCE standard compound; INTERNAL_ID 8485 D016573 - Agrochemicals D010575 - Pesticides
Fosthiazate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 3050 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8295; ORIGINAL_PRECURSOR_SCAN_NO 8293 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8351; ORIGINAL_PRECURSOR_SCAN_NO 8349 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8336; ORIGINAL_PRECURSOR_SCAN_NO 8334 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8335; ORIGINAL_PRECURSOR_SCAN_NO 8333 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8296; ORIGINAL_PRECURSOR_SCAN_NO 8294 CONFIDENCE standard compound; INTERNAL_ID 463; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8249; ORIGINAL_PRECURSOR_SCAN_NO 8247
Nitrofen
Nitrofen is an herbicide of the diphenyl ether class. Because of concerns about its carcinogenicity, the use of nitrofen is banned in the European Union and in the United States. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3098 CONFIDENCE standard compound; INTERNAL_ID 43 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Risedronate
Risedronate is only found in individuals that have used or taken this drug. It is a bisphosphonate used to strengthen bone, treat or prevent osteoporosis, and treat Pagets disease of bone.The action of risedronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Risedronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass. 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 D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
3-methyl-N-phenyl-1-benzothiophene-2-carbothioamide
2-Amino-4-(4-methoxyphenyl)-1-methyl-1H-imidazole-5-sulfonic acid
8H-Benzo[b]pyrido[4,3,2-de][1,8]phenanthroline-8-one
Penconazole
D016573 - Agrochemicals D010575 - Pesticides
5-Chloro-N-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide
8-METHYL-2-(5-METHYLTHIEN-2-YL)QUINOLINE-4-CARBOXYLIC ACID
ethyl 5,7-dichloro-2-methylquinoline-3-carboxylate
2-Chloro-4-(morpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxaldehyde
ethyl 4,6-dichloro-8-methylquinoline-3-carboxylate
6-Thio-2-Deoxyguanosine
6-Thio-2'-Deoxyguanosine is a nucleoside analogue that can be incorporated into de novo-synthesized telomeres by telomerase.
3-AMINO-4(PHENYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
METHYL 2-[[5-(TRIFLUOROMETHYL)-2-PYRIDYL]SULFONYL]ACETATE
2-(3-chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
3-[1-(3-chlorophenoxy)ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
6-CHLORO-N-(5-ETHOXY-1H-PYRAZOL-3-YL)-3-NITROPYRIDIN-2-AMINE
2-BROMO-6-METHYL-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXYLIC ACID ETHYL ESTER
2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide
2-[[4-(TRIFLUOROMETHYL)PHENYL]SULPHONYL]ETHANETHIOAMIDE
2-(4-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
2-BROMO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide
(s)-3-amino-4-(3,4-dichlorophenyl)butanoic acid hydrochloride
3-Bromo-pyrrolidine-1-carboxylic acid benzyl ester
4-METHANESULFONYL-BIPHENYL-2-YLAMINE HYDROCHLORIDE
4-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester
3-Bromobenzeneboronic Acid N-Methyldiethanolamine Ester
(r)-3-amino-4-(3-trifluoromethylphenyl)butanoic acid hydrochloride
1-(4-CHLOROPHENYL)-1-(4-METHOXYPHENYL)METHYLAMINE HYDROCHLORIDE
6,8-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
2H-INDOL-2-ONE, 1,3-DIHYDRO-5-BROMO-3-HYDROXY-3-(2-OXOPROPYL)-
(r)-3-amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride
(Z)-4-(4-CHLOROBENZYLIDENE)-2-PHENYLOXAZOL-5(4H)-ONE
(S)-3-AMINO-4-(3-(TRIFLUOROMETHYL)PHENYL)BUTANOIC ACID HYDROCHLORIDE
2-(4-NITRO-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
2-(2-NITRO-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
2-(4-nitrophenyl)-1H-benzimidazole-4-carboxylic acid
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
1-((6-CHLOROPYRIDIN-3-YL)METHYL)PIPERAZINE DIHYDROCHLORIDE
2-Amino-4-[4-(N,N-dimethylsulphamoyl)phenyl]-1,3-thiazole
Ethyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
6-Bromo-4H-spiro[benzo[d][1,3]dioxine-2,4-piperidine]
2-CHLORO-8-ETHYL-5,6,7,8-TETRAHYDRO-5-OXO-PYRIDO(2,3-D)PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
ETHYL 2-(4-CHLOROPHENYL)-4-HYDROXYTHIAZOLE-5-CARBOXYLATE
2-(1,3-benzodioxol-5-yl)-6-nitroimidazo[1,2-a]pyridine
5-TERT-BUTYL-2-(3,4-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE
5-OXO-6-TRIFLUOROMETHANESULFONYLOXY-1,2,3,5-TETRAHYDROINDOLIZINE
1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
4-(4-BROMOPHENYL)-5-METHYL-2(3H)-THIAZOLONE HYDRAZONE
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
6-AMINO-5-CHLORO-2-(4-CHLORO-PHENYL)-PYRIMIDINE-4-CARBOXYLIC ACID
2-Chloro-4-morpholinothieno[3,2-d]pyrimidine-6-carbaldehyde
(4-BROMO-2-METHOXYPHENYL)(PYRROLIDIN-1-YL)METHANONE
6-Nitro-4-oxo-8-(trifluoromethyl)-1,4-dihydro-3-quinolinecarbonit rile
2-METHANESULFONYL-BIPHENYL-4-YLAMINE HYDROCHLORIDE
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CIS-1-OXO-SPIRO[CYCLOHEXANE-1,3(1H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLICACIDHYDROCHLORIDE
2-[(E)-2-(4-Hydrazinophenyl)vinyl]pyridine dihydrochloride
1-ISOPROPYL-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE
(([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)AMINO)ACETIC ACID
4-([(3-THIENYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE
1-[(6-chloro-3-pyridinyl)methyl]piperazine(SALTDATA: 2HCl)
4,7-DICHLORO-8-METHYLQUINOLINE-3-CARBOXYLICETHYLESTER
2-(2-Hydroxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
Dexpramipexole (dihydrochloride)
Dexpramipexole dihydrochloride ((R)-Pramipexole dihydrochloride) is a neuroprotective agent and weak non-ergoline dopamine agonist.
(2S,4R)-4-(2-BROMOBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID
(2S,4R)-4-(3-BROMOBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID
(5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)ISOXAZOL-4-YL)METHANOL
(R)-3-AMINO-4-(4-(TRIFLUOROMETHYL)PHENYL)BUTANOIC ACID HYDROCHLORIDE
Benzenemethanol,3,4-dichloro-a-[[(1-methylethyl)amino]methyl]-,hydrochloride (1:1)
(s)-3-amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride
5-TERT-BUTYL-2-(2,6-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE
5-TERT-BUTYL-2-(2,5-DICHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE
2-(2-CHLOROBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
Pramipexole dihydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D020011 - Protective Agents > D000975 - Antioxidants Pramipexole dihydrochloride is a selective and blood-brain barrier (BBB) penetrant dopamine D2-type receptor agonist, with Kis of 2.2 nM, 3.9 nM, 0.5 nM and 1.3 nM for D2-type receptor, D2, D3 and D4 receptors, respectively. Pramipexole dihydrochloride can be used for the research of Parkinson's disease (PD) and restless legs syndrome (RLS)[1][2][3].
(Z)-4-(2-CHLOROBENZYLIDENE)-2-PHENYLOXAZOL-5(4H)-ONE
2-(d-gluco-pentylhydroxypentyl)-4(r)-1,3-thiazolidine-4-carboxylic acid
5-[2-(TOLUENE-4-SULFONYL)-ETHYL]-[1,3,4]THIADIAZOL-2-YLAMINE
(s)-3-amino-4-(4-trifluoromethylphenyl)butanoic acid hydrochloride
(s)-3-amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride
Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
[3aR-(3aα,6α,7aβ)]-3H-3a,6-methano-2,1-benzisothiazole, 7,7-dichloro-4,5,6,7-tetrahydro-8,8-dimethyl-2,2-dioxide
(R)-Methyl 3-aMino-4-(2,4,5-trifluorophenyl)butanoate hydrochloride
(S)-3-Amino-4-(2,4-dichlorophenyl)-butyric acid-HCl
(2S,4R)-4-(4-broMobenzyl)pyrrolidine-2-carboxylic acid
(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)(phenyl)acetic acid
2-(4-Trifluoromethylphenoxy)pyridine-5-boronic acid
3,4-Dihydroxy-2,5-thiophenedicarboxylic acid 2,5-diethyl ester sodium salt
2-(4-Bromophenyl)-5,8-dioxaspiro[3.4]octan-2-amine
methyl 3-(4-bromophenyl)-4,5-dihydroisoxazole-5-carboxylate
N-(6-chloropyridazin-3-yl)-4-methylbenzenesulfonamide
ETHYL 1-(5-CHLORO-3-FLUOROPYRIDIN-2-YL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
1-(3-BROMO-5-METHYLPYRIDIN-2-YL)-4-ETHYLPIPERAZINE
3-Bromo-1-isopropyl-5-(trifluoromethyl)pyridin-2(1H)-one
3-PYRROLIDINECARBOXYLIC ACID, 1-(4-BROMOPHENYL)-2-OXO-
5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
6-Benzyl-4-chloro-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-d]pyrimidine hydrochloride
(r)-3-amino-4-(3,4-dichlorophenyl)butanoic acid hydrochloride
(r)-3-amino-4-(2-trifluoromethylphenyl)butanoic acid hydrochloride
N-(N-P-Nitro-Benzyloxycarbonyl)-Formimidoyl-2-Aminoethylthiol
1-(4-BROMO-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE
4-(Methylsulfonamido)-2-(trifluoromethyl)benzoic Acid
3-(4-Chlorophenyl)quinoxaline-5-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
4-[4-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
2-[(4-Chlorophenyl)hydrazono]-3-oxo-3-phenylpropanenitrile
biochanin A(1-)
Conjugate base of biochanin A arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
Conjugate base of 5,7-dihydroxy-4-methoxyflavone.
5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2-)
2-amino-9-[5-(hydroxymethyl)-3-sulfanyloxolan-2-yl]-1H-purin-6-one
2-(Methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
Calycosin(1-)
A flavonoid oxoanion obtained by deprotonation of the hydroxy group at position 7 of calycosin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Wogonin(1-)
The flavonoid oxoanion formed by deprotonation of the 7-hydroxy function of wogonin. Major structure at pH 7.3.
2-[1-(2-Hydroxyanilino)ethylidene]-1-benzothiophen-3-one
Ethyl 2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
Prunetin-5-olate
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of prunetin. It is the major microspecies at pH 7.3
2-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide
(3S,4S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-mercapto-3-oxolanol
(Z)-N-(3-Chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
(2S,3S,4R,5R)-3,4,5-trihydroxy-6-(pyridine-4-carbonyl)oxane-2-carboxylic acid
Risedronic 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 D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
ALDH1A3-IN-1
ALDH1A3-IN-1 (Compound 14) is a potent ALDH1A3 inhibitor, with an IC50 of 0.63 μM and a Ki of 0.46 μM. ALDH1A3-IN-1 can be studied in prostate cancer[1].
NS3861
NS3861 is an agonist of nicotinic acetylcholine receptors (nAChRs) and binds with high affinity to heteromeric α3β4 nAChR. The binding Ki values of 0.62, 25, 7.8, 55 nM for α3β4, α3β2, α4β4, α4β2, respectively[1].
Varenicline (dihydrochloride)
Varenicline (CP 526555-18) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].
