Exact Mass: 223.0564
Exact Mass Matches: 223.0564
Found 141 metabolites which its exact mass value is equals to given mass value 223.0564,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(E)-Monocrotophos
(e)-monocrotophos, also known as azodrin or dimethyl (E)-3-hydroxy-N-methylcrotonamide, is a member of the class of compounds known as dialkyl phosphates. Dialkyl phosphates are organic compounds containing a phosphate group that is linked to exactly two alkyl chain (e)-monocrotophos is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Within the cell, (e)-monocrotophos is primarily located in the cytoplasm. It can also be found in the extracellular space (e)-monocrotophos is a non-carcinogenic (not listed by IARC) potentially toxic compound. If the compound has been ingested, rapid gastric lavage should be performed using 5\\% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of -oximes has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally (T3DB). D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors (E)-Monocrotophos is an Agricultural insecticide with both systemic and contact actio D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 3133 D010575 - Pesticides > D007306 - Insecticides D009676 - Noxae > D009153 - Mutagens D016573 - Agrochemicals
2-AMINOANTHRAQUINONE
CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7954; ORIGINAL_PRECURSOR_SCAN_NO 7950 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7992; ORIGINAL_PRECURSOR_SCAN_NO 7987 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8048; ORIGINAL_PRECURSOR_SCAN_NO 8046 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8029; ORIGINAL_PRECURSOR_SCAN_NO 8026 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7993; ORIGINAL_PRECURSOR_SCAN_NO 7988 CONFIDENCE standard compound; INTERNAL_ID 633; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8037; ORIGINAL_PRECURSOR_SCAN_NO 8033
2-(Malonylamino)benzoic acid
2-(Malonylamino)benzoic acid is found in nuts. 2-(Malonylamino)benzoic acid is isolated from the leaves of the peanut (Arachis hypogaea). Isolated from the leaves of the peanut (Arachis hypogaea). N-Malonylanthranilic acid is found in nuts.
4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid
4-(2 Amino-3-hydroxyphenyl)-2,4-dioxobutanoate is found in the tryptophan metabolic pathway and is an intermediate in tryptophan degradation [Kegg: C05645]. More specifically it is an intermediate in the conversion of 3-hydroxy-L-kynurenine to xanthurenate. The conversion is catalyzed by kynurenine aminotransferase (EC 2.6.1.7). [HMDB] 4-(2 Amino-3-hydroxyphenyl)-2,4-dioxobutanoate is found in the tryptophan metabolic pathway and is an intermediate in tryptophan degradation [Kegg: C05645]. More specifically it is an intermediate in the conversion of 3-hydroxy-L-kynurenine to xanthurenate. The conversion is catalyzed by kynurenine aminotransferase (EC 2.6.1.7).
(R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid
(R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid is found in cereals and cereal products. (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid is a constituent of rice bran. Constituent of rice bran. (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid is found in cereals and cereal products.
Benzo[d][2]benzazepine-5,7-dione
1-(2,2-Difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
Fast Red AL
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 10
pyranonigrin A
A member of the class of pyranopyrroles that is 2-[(1E)-prop-1-en-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione carrying two additional hydroxy substituents at positions 3 and 7. Originally isolated from Aspergillus niger.
(7R)-3,7-dihydroxy-2-[(1E)-prop-1-enyl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione|pyranonigrin A|pyranonigrin-A
MONOCROTOPHOS
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D009676 - Noxae > D009153 - Mutagens D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 3133
(R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid
1,3,5-Triazine-2,4-diamine,N2-phenyl-, hydrochloride (1:1)
3-Pyridinecarbonitrile,1,2-dihydro-4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-
1-(2-CHLORO-4-FLUOROPHENYL)CYCLOPENTANECARBONITRILE
6-(furan-2-yl)pyridine-2-carboximidamide,hydrochloride
4-(furan-3-yl)pyridine-2-carboximidamide,hydrochloride
4-(furan-2-yl)pyridine-2-carboximidamide,hydrochloride
1-(2-CHLORO-6-FLUOROPHENYL)CYCLOPENTANECARBONITRILE
7-FLUORO-8-METHYL-5-NITRO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
5-(furan-2-yl)pyridine-2-carboximidamide,hydrochloride
2-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetic acid
2-methoxy-8-oxo-10-oxa-7-azabicyclo[4.4.0]deca-2,4,11-triene-4-carboxylic acid
3H-1,2,4-Triazol-3-one,4-(4-chlorophenyl)-2,4-dihydro-2,5-dimethyl-
2,4-Difluoro-alpha-(1H-1,2,4-triazolyl)acetophenone
1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid
1-ISOPROPYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBONYL CHLORIDE
2,2-DIMETHYL-6-NITRO-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
4-[(Cyclopropylcarbonyl)amino]-3-fluorobenzoic acid
(5-(3,5-DIMETHYLISOXAZOL-4-YL)THIOPHEN-2-YL)BORONIC ACID
5-(5-CHLORO-2-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE
1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
3-(2-fluorophenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxylic acid(SALTDATA: FREE)
1-(2-FLUORO-BENZOYLAMINO)-CYCLOPENTANECARBOXYLICACID
1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
2(3H)-Benzothiazolethione,5-(1,1-dimethylethyl)-(9CI)
1-(4-FLUOROPHENYL)-3-METHYLTHIO-5-PHENYL-1H-PYRAZOLE
(E)-1-(5-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-hydroxym ethanimine
1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-3-(methylthio)-,hydrazide(9CI)
Ethyl2,4-dioxo-1,2,3,4-tetrahydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
Piperidine, 3-(1H-pyrazol-3-yl)-, hydrochloride (1:2)
3-(4-fluorophenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxylic acid(SALTDATA: FREE)
3-(4-HYDROXY-1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-YLAMINO)-PROPIONIC ACID
trans-Sinapate
A member of the class of cinnamates that is the conjugate base of trans-sinapic acid.
Phenazine-1-carboxylate
A monocarboxylic acid anion that is the conjugate base of phenazine-1-carboxylic acid; major species at pH 7.3.
(3R)-4-(2-aminophenyl)-3-hydroxy-2,4-dioxobutanoic acid
(Z)-4-(3-hydroxy-5-methyl-6-oxo-1H-pyridin-2-yl)-2-oxobut-3-enoic acid
4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid
A dioxo monocarboxylic acid that is benzene in which the hydrogens at position 1, 2 and 3 are replaced by 3-carboxy-3-oxopropanoyl, amino and hydroxy groups, respectively. It is a by-product of tryptophan metabolism.
4-Amino-4-deoxychorismate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 4-amino-4-deoxychorismic acid.
2,6-dihydroxy-5-(prop-1-en-1-yl)-1h,2h-pyrano[3,2-b]pyrrole-3,7-dione
(7r)-3,5,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-7h-pyrano[2,3-c]pyrrol-4-one
(1s,4s,7r,8s)-4-hydroxy-3-oxo-2,11-dioxatricyclo[5.4.0.0⁴,⁸]undeca-5,9-diene-10-carboximidic acid
2-Acridinecarboxylic acid
{"Ingredient_id": "HBIN005141","Ingredient_name": "2-Acridinecarboxylic acid","Alias": "acridine-2-carboxylic acid; BRN 0173258; Acridine-3-carboxylic acid; 54328-73-3; 4-22-00-01323 (Beilstein Handbook Reference)","Ingredient_formula": "C14H9NO2","Ingredient_Smile": "C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)C(=O)O","Ingredient_weight": "223.23","OB_score": "72.85846212","CAS_id": "54328-73-3","SymMap_id": "SMIT10841","TCMID_id": "NA","TCMSP_id": "MOL009755","TCM_ID_id": "NA","PubChem_id": "3041556","DrugBank_id": "NA"}
