. 2013 Apr;79(8):2692–2702. doi: 10.1128/AEM.03767-12

Table 4.

LC-ESI/MS detection and identification of P450 oxidation metabolites from different PAHs^a

PAH compound	Oxidation product peak	R_t^b (min)	[M-H]⁻		ppm^c	Oxidation product ID
PAH compound	Oxidation product peak	R_t^b (min)	Measured	Theoretical	ppm^c	Oxidation product ID
Pyrene	I	11.9	217.0641	217.0659	−8.2	1-Hydroxypyrene
Benzo(a)pyrene	I	16.2	267.0789	267.0815	−9.9	3-Hydroxybenzo(a)pyrene
Standards
1-Hydroxypyrene		12.1	217.0634
3-Hydroxybenzo(a)pyrene		16.2	267.0788

Further details are provided in the “LC-ESI/MS” section of Materials and Methods.

R_t, retention time.

Values are derived based on the formula parts per million of the theoretical value (Δppm) = [(a − b)/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.