Table 4

LC-ESI/MS detection and identification of P450 oxidation metabolites from different PAHsa

PAH compoundOxidation product peakRtb (min)[M-H]ppmcOxidation product ID
MeasuredTheoretical
PyreneI11.9217.0641217.0659−8.21-Hydroxypyrene
Benzo(a)pyreneI16.2267.0789267.0815−9.93-Hydroxybenzo(a)pyrene
Standards
    1-Hydroxypyrene12.1217.0634
    3-Hydroxybenzo(a)pyrene16.2267.0788
  • a Further details are provided in the “LC-ESI/MS” section of Materials and Methods.

  • b Rt, retention time.

  • c Values are derived based on the formula parts per million of the theoretical value (Δppm) = [(ab)/b] × 1,000,000, where a is the measured m/z value of the target metabolite and b is the theoretical m/z value of the authentic standard.