Theoretical Mass Spectrometry
Tracing Ions with Classical Trajectories
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
| ISBN | 9783110442007 |
|---|---|
| Article number | 9783110442007 |
| Media type | Book |
| Copyright year | 2018 |
| Publisher | De Gruyter |
| Length | XII, 230 pages |
| Illustrations | 72 b/w ill., 14 b/w tbl. |
| Language | English |
