Description
This book discusses fragmentation mechanisms of molecules under mass spectrometry conditions and the resulting peaks observed in ESI-MS/MS experiments. The underlying principles are used to understand everything from small molecules to biological poly-peptides collision induced dissociation. In a theoretical approach, gas phase reactivity of molecular ions is coupled with chemical dynamics simulations. From the Content: – Basics of Mass Spectroscopy – Classical Trajectory – QM+MM Direct Dynamics – Dissociation Pathways – Product Ion Structure – Theoretical Mass Spectrum
