title: High-performance liquid chromatography linked to inductively coupled plasma mass spectrometry and orthogonal acceleration time-of-flight mass spectrometry for the simultaneous detection and identification of metabolites of 2-bromo-4-trifluoromethyl.
abstract: The use of HPLC coupled to inductively coupled plasma mass spectrometry (ICPMS) and orthogonal acceleration time-of-flight (oa-TOF) for the profiling, identification, and quantification of metabolites in rat urine following the administration of 2-bromo-4-trifluoromethylacetanilide is described. The metabolites present in the sample were separated by reversed-phase gradient chromatography with UV-diode array detection. The bulk of the eluent (90%) from the UV detector was directed to an ICPMS where bromine-containing metabolites were detected and quantified using ICPMS. The minor portion of the eluent (10%) was taken for oa-TOFMS for identification. By these means, the metabolites were identified as sulfate and glucuronide conjugates of a ring hydroxy-substituted metabolite, a N-sulfate, a N-hydroxylamine glucuronide, and N- and N-hydroxyglucuronides.
authors.affiliation: Biological Chemistry, Imperial College of Science Technology and Medicine, South Kensington, London, UK.
authors.forename: J K
authors.initials: JK
authors.lastname: Nicholson
authors.forename: J C
authors.initials: JC
authors.lastname: Lindon
authors.forename: G B
authors.initials: GB
authors.lastname: Scarfe
authors.forename: I D
authors.initials: ID
authors.lastname: Wilson
authors.forename: F
authors.initials: F
authors.lastname: Abou-Shakra
authors.forename: A B
authors.initials: AB
authors.lastname: Sage
authors.forename: J
authors.initials: J
authors.lastname: Castro-Perez
mesh_terms: D000813:Anilides / Q000008:administration & dosage / Q000378:metabolism*; D000818:Animals; D017605:Bromine Compounds / Q000652:urine*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D020719:Glucuronides / Q000652:urine; D008297:Male; D013058:Mass Spectrometry / Q000379:methods*; D051381:Rats; D017207:Rats, Sprague-Dawley; D013431:Sulfates / Q000652:urine
chemical_list: C121874:3-methyl-4-trifluoromethylacetanilide; D000813:Anilides; D017605:Bromine Compounds; D020719:Glucuronides; D013431:Sulfates