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. Author manuscript; available in PMC: 2016 Feb 23.
Published in final edited form as: Chem Res Toxicol. 2012 May 31;25(8):1633–1642. doi: 10.1021/tx300096a

Figure 4.

Figure 4

LC-HRMS/MS data acquired for the sulfonic acid adduct (+O3) in a pooled plasma sample from male smokers. (A) Selected ion chromatogram (SIC) for m/z = 827.75 (+3). (B) Isotope distribution for the SIC peak eluting at 32.38 min. (C) Simulated isotope distribution for a triply protonated ion with an empirical formula C114H173N27O33S1. (D) MS/MS spectrum of the precursor ion at m/z = 828.09 (+3) acquired in the linear ion trap.