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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.
Kihyung Song, KNUE, Chungbuk, Korea. Riccardo Spezia, CNRS, Paris, France.
From the Content:
- Basics of Mass Spectroscopy
- Classical Trajectory
- QM+MM Direct Dynamics
- Dissociation Pathways
- Product Ion Structure
- Theoretical Mass Spectrum