title: Analysis of the major mercapturic acid pathway metabolites of benzo[a]pyrene found in rat urine by nano-electrospray mass spectrometry.
abstract: Nano-electrospray has been used in combination with high resolution and tandem mass spectrometry in the analysis of the major mercapturic acid pathway metabolites of benzo[a]pyrene (BP). Accurate mass measurements indicate that the [M-H]- ion of the major metabolite has a chemical formula C25H22NO6S, which corresponds to the deprotonated form of tetrahydro-trihydroxy-BP-S-N-acetylcysteine. Tandem mass spectrometry of this [M-H]- ion results in a collision induced dissociation spectrum identical to that of synthetic 7,8,9,10-tetrahydro-8,9,10-trihydroxy-BP-7-S-N-acetylcysteine.
authors.affiliation: Department of Medical Nutrition, Karolinska Institutet, Huddinge University Hospital, Stockholm, Sweden.
authors.forename: Y
authors.initials: Y
authors.lastname: Yang
authors.forename: J
authors.initials: J
authors.lastname: Rafter
authors.forename: J A
authors.initials: JA
authors.lastname: Gustafsson
authors.forename: J
authors.initials: J
authors.lastname: Sjövall
authors.forename: W J
authors.initials: WJ
authors.lastname: Griffiths
mesh_terms: D000111:Acetylcysteine / Q000378:metabolism*; D000818:Animals; D001564:Benzo(a)pyrene / Q000008:administration & dosage / Q000032:analysis*; D002273:Carcinogens / Q000008:administration & dosage / Q000032:analysis*; D002851:Chromatography, High Pressure Liquid; D005978:Glutathione / Q000378:metabolism; D007274:Injections, Intraperitoneal; D013058:Mass Spectrometry; D008968:Molecular Conformation; D051381:Rats; D014556:Urine / Q000737:chemistry
chemical_list: D002273:Carcinogens; D001564:Benzo(a)pyrene; D005978:Glutathione; D000111:Acetylcysteine