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. 2010 May;38(5):871–878. doi: 10.1124/dmd.109.030817

Fig. 2.

Fig. 2.

MS/MS structural elucidation of TPV metabolites in mouse feces. Feces samples from mice were collected for 18 h after oral administration of 40 mg/kg TPV. Screening and identification of major metabolites were performed by using MarkerLynx software based on accurate mass measurement (mass errors less than 10 ppm). MS/MS fragmentation was conducted with collision energy ramping from 10 to 30 eV. Major daughter ions from fragmentation were interpreted in the inlaid structural diagrams. A, TPV I (m/z 603+), retention time at 6.62 min. B, monohydroxylated metabolite II (m/z 619+), retention time at 6.30 min. C, monohydroxylated metabolite III (m/z 619+), retention time at 5.87 min. D, monohydroxylated metabolite IV (m/z 619+), retention time at 6.58 min. E, depropylated metabolite V (m/z 561+), retention time at 6.23 min. F, dehydrogenated metabolite VI (m/z 601+), retention time at 7.45 min. G, dehydrogenated metabolite VII (m/z 601+), retention time at 6.01 min. H, dehydrogenated metabolite VIII (m/z 601+), retention time at 6.11 min. I, dihydroxylated metabolite IX (m/z 635+), retention time at 5.75 min.