title: Ion trap MS(n) genealogical mapping-approaches for structure elucidation of novel products of consecutive fragmentations of morphinans
abstract: The analysis of data within multi-generational, genealogical, electrospray ionization/MS(n) fragmentation maps is discussed in reference to the structure elucidation of morphinans, an important class of pharmacological compounds. Various general approaches to separate and understand observed processes are discussed. These include: (1) Simple synthetic schemes incorporating deuterium and (13)C 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 proposed MS(3) 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 synthetic paradigm for generating proposed carbonium ion structures at MS(4) via electrospray ionization (ESI) of easily synthesized amines; (5) the analysis of an oxidation product and correlation of MS(n) data of a switched, odd-electron species with electron ionization and low-pressure, low-energy charge exchange data; and (6) a new way of summarizing MS(n) data. Copyright -Copyright 2000 John Wiley & Sons, Ltd.
authors.affiliation: Corporate Research Division, Procter & Gamble Miami Valley Laboratories, P.O. Box 538707, Cincinnati, OH 45253-8707, USA.
authors.initials: RJ
authors.lastname: Strife
authors.initials: LC
authors.lastname: Robosky
authors.initials: G
authors.lastname: Garrett
authors.initials: MM
authors.lastname: Ketcha
authors.initials: JD
authors.lastname: Shaffer
authors.initials: N
authors.lastname: Zhang