Theoretical Mass Spectrometry : : Tracing Ions with Classical Trajectories / / Kihyung Song, Riccardo Spezia.

• Superior document: Title is part of eBook package: De Gruyter DG Plus eBook-Package 2018
• VerfasserIn: Song, Kihyung,; Spezia, Riccardo,
• Place / Publishing House: Berlin ;, Boston : : De Gruyter, , [2018]; ©2018
• Year of Publication: 2018
• Language: English
• Physical Description: 1 online resource (XII, 230 p.)
• Other title: Frontmatter --; Acknowledgments --; Contents --; List of abbreviations --; Physical constants --; 1. Introduction --; 2. Principles of Experimental Mass Spectrometry --; 3. Classical Trajectory Methods --; 4. Interaction Energy --; 5 .Principles of Chemical Kinetics --; 6. How to Simulate Real Systems --; 7.Application to Organic Molecules --; 8 .Application to Biological Molecules --; 9. Summary and Future Directions --; A Mathematical Compendium --; B Principles of Classical Mechanics --; List of Figures --; List of Tables --; Bibliography --; Index
• Format: Mode of access: Internet via World Wide Web.
• ISBN: 9783110434897; 9783110719550; 9783110604252; 9783110603255; 9783110604221; 9783110603224
• DOI: 10.1515/9783110434897
• Access: restricted access
• Hierarchical level: Monograph
• Statement of Responsibility: Kihyung Song, Riccardo Spezia.

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.