Theoretical mass spectrometry : tracing ions by classical trajectory / Kihyung Song.

Format:

Book

Author/Creator:

Song, Kihyung, author.

Spezia, Riccardo, author.

Language:

English

Subjects (All):

Mass spectrometry.

Physical Description:

1 online resource (242 pages)

Edition:

First edition.

Place of Publication:

Berlin ; Boston : De Gruyter, [2018]

Language Note:

In English.

Summary:

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.

Contents:

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

Notes:

Description based on print version record.

ISBN:

9783110433562

3110433567

9783110434897

311043489X

OCLC:

1037982505