Rj. Strife et al., Ion trap MSn genealogical mapping - approaches for structure elucidation of novel products of consecutive fragmentations of morphinans, RAP C MASS, 14(4), 2000, pp. 250-260
The analysis of data within multi-generational, genealogical, electrospray
ionization/MSn fragmentation maps is discussed in reference to the structur
e elucidation of morphinans, an important class of pharmacological compound
s. Various general approaches to separate and understand observed processes
are discussed. These include: (1) Simple synthetic schemes incorporating d
euterium and C-13 into morphinans to study later-generation, O-methyl group
migration; (2) labeling to understand 'intense' signals for even-electron
to odd-electron ion 'switching' events; (3) gas phase 'synthesis' of propos
ed MS3 ions via an independent route, using chemical ionization (CI) MS/MS
of naphthalenes and analysis via a bench-top El/Cl ion trap; (4) a useful s
ynthetic paradigm for generating proposed carbonium ion structures at MS4 v
ia electrospray ionization (ESI) of easily synthesized amines; (5) the anal
ysis of an oxidation product and correlation of MSn data of a switched, odd
-electron species with electron ionization and low-pressure, low-energy cha
rge exchange data; and (6) a new way of summarizing MSn data. Copyright (C)
2000 John Wiley & Sons, Ltd.