Fundamentals and Applications of Fourier Transform Mass Spectrometry

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. 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 München, 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.

"Apart from this book that, at its time, provided a well-balanced introduction and state-of-the-art overview, there are only books containing single chapters on FT-ICR-MS or Orbitrap-MS. Overall, this book deserves a place on the bookshelves not only of academic libraries but even more so in MS laboratories using FT-based instrumentation. This review rates it at four of five stars." --Analytical and Bioanalytical Chemistry"Basically, this monograph is well-structured and the assignment of the chapters into Sections A to C provides orientation for the reader. Generally, the authors have taken great care to provide well prepared and informative chapters each contributing to the whole package offered by this book." --Analytical and Bioanalytical Chemistry

• Historical Chapters1. Historical Developments in FTICRMSFundamental/Technology Chapters2. Fundamentals of Orbitrap 3. Latest developments in FT-ICR-MS4. Fundamentals and simulations in FT-ICR-MS5. Advanced Fundamentals6. Data processing & Automation in ICR-FT-MS 7. Fundamentals of 2D-FTMS8. Ion Mobility and FTMS9. Imaging FTMS10. Laser Desorption Ionisation FT-ICR-MSApplications Chapters11. LC-MS Metabolomics in Orbitrap12. Visualizing metabolic hypotheses on FT-ICR-MS13. Environmental Chemistry/Organohalogens and FTMS14. Bioactive Peptides15. Forensic studies FTMS/Orbitrap16. Petroleomics Orbitrap/FTMS17. Proteomics/PTM Orbi/ICR18. Gas Phase Ion-Molecule Reactions / Inorganics19. Clusters Chemistry and Cold ICR-FTMS20. Application of FTMS to the Analysis of Glycosaminoglycans21. Foodomics in FTMS