ABSTRACT

Structural elucidation from mass spectra recorded in electron ionization (EI) or chemical ionization (CI) is often difficult, if not impossible, for several reasons. The first is that mass spectra, unlike nuclear magnetic resonance (NMR) spectra, contain too little structural information to allow the determination of the structure of an unknown compound. The second reason is that the fragmentation mechanisms of ions in the gas phase are not always elucidated.