Abstract
The dissociation of gas-phase poly(vinyl acetate) ionized by Li + was investigated by electrospray-ionization tandem mass spectrometry. The ions lose acetic acid molecules from the polymer side chain, and ultimately lithium acetate, to form a polyene with a positive charge on the carbon backbone. Collision-induced dissociation (CID) mass spectra were obtained at different center-of-mass collision energies to study the sequential appearance of the fragment ions. Molecular mechanics/molecular dynamics (MM/MD), semi-empirical, Hartree–Fock and density functional calculations were employed to model the lowest energy dissociation processes.
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