Song, Kihyung / Spezia, Riccardo
Theoretical Mass Spectrometry
Tracing Ions with Classical Trajectories
- Covering reaction dynamics of unimolecular dissociation and bimolecular ionization.
- With practical examples from chemistry and biology.
Aims and Scope
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.