Analysis of the major mercapturic acid pathway metabolites of benzo[a]pyrene found in rat urine by nano-electrospray mass spectrometry

Yang Yang, Joseph Rafter, Jan-Ake Gustafsson, Jan Sjövall, William J. Griffiths

Research output: Contribution to journalArticle

7 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)465-471
Number of pages7
JournalRapid Communications in Mass Spectrometry
Volume12
Issue number8
DOIs
StatePublished - May 5 1998

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry

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