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.

List of contents

From the Content:

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

About the author

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

Product details

• Authors: Kihyun Song, Kihyung Song, Riccardo Spezia
• Publisher: De Gruyter
• Languages: English, German
• Product format: Hardback
• Released: 11.05.2018
• EAN: 9783110442007
• ISBN: 978-3-11-044200-7
• No. of pages: 230
• Dimensions: 173 mm x 19 mm x 246 mm
• Weight: 595 g
• Illustrations: 72 b/w ill., 14 b/w tbl.
• Subject: Natural sciences, medicine, IT, technology > Chemistry > Theoretical chemistry