title: Characterisation of putative pentose-containing conjugates as minor metabolites of 4-bromoaniline present in the urine of rats following intraperitoneal administration.
abstract: The metabolic fate of 4-bromoaniline (4-BrA) was investigated following intraperitoneal administration to the rat at 50 mg kg(-1), using high-performance liquid chromatography/time-of-flight tandem mass spectrometry (HPLC/TOF-MS/MS). Up to five metabolites were detected in urine that correspond to isomeric pentose conjugates (possibly ribosides) of a hydroxysulphate of 4-BrA. This identification is supported by further studies where the water used in the reversed-phase solvent system was replaced with deuterated water in order to confirm that the number of exchangeable protons present in the metabolites was consistent with the proposed structures.
authors.affiliation: Micromass UK Ltd, Floats Rd, Wythenshawe, Manchester M23 9LZ, UK.
authors.forename: Hilary
authors.initials: H
authors.lastname: Major
authors.forename: Jose
authors.initials: J
authors.lastname: Castro-Perez
authors.forename: Jeremy K
authors.initials: JK
authors.lastname: Nicholson
authors.forename: Ian D
authors.initials: ID
authors.lastname: Wilson
mesh_terms: D000814:Aniline Compounds / Q000008:administration & dosage* / Q000378:metabolism* / Q000652:urine; D000818:Animals; D001711:Biotransformation; D002851:Chromatography, High Pressure Liquid; D007274:Injections, Intraperitoneal; D013058:Mass Spectrometry; D010429:Pentoses / Q000737:chemistry / Q000378:metabolism* / Q000652:urine*; D051381:Rats; D017207:Rats, Sprague-Dawley
chemical_list: D000814:Aniline Compounds; D010429:Pentoses; C023621:4-bromoaniline