Theoretical Mass Spectrometry: Tracing Ions with Classical Trajectories

ISBN-13: 9783110442007 / Angielski / Twarda / 2018 / 242 str.

Kihyung Song;Riccardo Spezia

Opis

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.

Spis treści

From the Content:

- Basics of Mass Spectroscopy
- Classical Trajectory
- QM+MM Direct Dynamics
- Dissociation Pathways
- Product Ion Structure
- Theoretical Mass Spectrum

O autorze

Kihyung Song, KNUE, Chungbuk, Korea. Riccardo Spezia, CNRS, Paris, France.