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.