Theoretical Mass Spectrometry

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.

Autorentext

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

Inhalt

From the Content:

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