Theoretical Mass Spectrometry
Tracing Ions with Classical Trajectories| By: | Kihyung Song; Riccardo Spezia |
| Publisher: | De Gruyter |
| Print ISBN: | 9783110442007 |
| eText ISBN: | 9783110433562 |
| Edition: | 1 |
| Copyright: | 2018 |
| Format: | Reflowable |
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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.