Fundamentals and Applications of Fourier Transform Mass Spectrometry

Table of Contents

Historical Chapters 1. Historical Developments in FTICRMS

Fundamental/Technology Chapters 2. Fundamentals of Orbitrap 3. Latest developments in FT-ICR-MS 4. Fundamentals and simulations in FT-ICR-MS 5. Advanced Fundamentals 6. Data processing & Automation in ICR-FT-MS 7. Fundamentals of 2D-FTMS 8. Ion Mobility and FTMS 9. Imaging FTMS 10. Laser Desorption Ionisation FT-ICR-MS

Applications Chapters 11. LC-MS Metabolomics in Orbitrap 12. Visualizing metabolic hypotheses on FT-ICR-MS 13. Environmental Chemistry/Organohalogens and FTMS 14. Bioactive Peptides 15. Forensic studies FTMS/Orbitrap 16. Petroleomics Orbitrap/FTMS 17. Proteomics/PTM Orbi/ICR 18. Gas Phase Ion-Molecule Reactions / Inorganics 19. Clusters Chemistry and Cold ICR-FTMS 20. Application of FTMS to the Analysis of Glycosaminoglycans 21. Foodomics in FTMS

Authors

Philippe Schmitt-Kopplin Helmholtz Zentrum, Munich, Germany; Institute for Analytical Food Chemistry of the Technical University Munich, Germany. Dr. Schmitt-Kopplin's research team performs tailored and comprehensive metabolomics in health and environment. He has a strong profile in analytical chemistry with integrated approaches combining (ultra)high resolution mass spectrometry, separation sciences, NMR-spectroscopy and bioinformatics for the description of complex molecular systems on a molecular level. His focus in the last decade was to implement ion cyclotron resonance Fourier transform mass spectrometry into applications for a rapid and robust tool for deep metabotyping and small molecules profiling. His interdisciplinary studies are related to important diseases linked to environmental factors and microbiome engineering such as in diabetes, asthma and allergies, probiotics, intestinal infections, and microbial pathogens. Basem Kanawati Helmholtz Zentrum, Munich, Germany. Dr. Kanawati is a mass spectrometry scientist with longtime expertise in FT-ICR mass spectrometry, coordinating the 12T high field FT-ICR-MS research laboratory in Helmholtz Zentrum M�nchen, Germany. His main research field is in physical chemistry covering a wide range of topics from organic mass spectrometric and MS/MS studies to FTMS instrumental cell developments; quantum mechanical investigations on gas phase ionic electronic systems; elucidation of advanced fragmentation mechanisms of organic ions as well as ion-molecule reaction mechanisms; mass spectrometric investigations of organic aerosols using different external ionization sources; and physical simulation of ion trajectories in several ICR cell geometries. He developed several computer programs for automatic calibration of ultra-high resolution ICR-MS spectra as well as in-depth post-processing of FT-ICR-MS spectra for increasing signal sensitivity, identifying Fourier transformed FID leakage artifacts such as sinc-wiggles in MS-spectra and increasing the resolution through accurate peak centroid recognition. He also developed a synchronized automatic system control of autosamplers with the 12T FT-ICR-MS instrument through microcontroller based technology and thus increased the productivity of the high field FT-ICR-MS laboratory.