In trapping studies of (2S,3R)-(+)-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-
1-ylethoxy)-phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol (C) in human liver
microsomes in the presence of N-acetylcysteine (Zhang et al., 2005), a
molecular ion atm/z611 (MH++ 161) was detected at 16.7 min (Fig. 14.4a
FIGURE 14.2 LC/MS/MS analysis of the bis–cyano adductB of (2S,3R)-3-(4-
hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol
(A). (a) Total ion chromatogram of the mass scanning atm/z531. (b) ESI–MS spectrum
of the adductBat 26.1 min; (cande), ESI–MS^2 spectra of the adductBobtained by
CID of the MH+NH 3 ion atm/z531 and 533, respectively. (dandf), ESI–MS^3 spectra
of the adductBobtained by CID of the MH+NH 3 ion atm/z487 and 489, respectively.
The origin of characteristic fragment ions is as noted.
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