Ultrahigh resolution mass spectrometry

The integration of soft ionization technologies and ultrahigh resolution FTICR mass spectrometry (Fourier transform ion-cyclotron MS) has enabled the examination of molecules, directly from mixtures, with ultrahigh mass resolution and sub-ppm mass accuracy. This ability to observe structure and reactivity aspects of intact (macro)molecules has, in particular, contributed to the molecular-level characterization of complex matrices, for example novel materials and biological and biogeochemical samples. Here, thousands of molecular formulae can be determined in a single measurement directly from mixtures. The exceptional performance of ultrahigh-resolution FTICRmass spectroscopy in the characterization of complex systems suffers much less from the detrimental effects of intrinsic averaging, which is a characteristic of most other methods of organic structural spectroscopy. This novel information-rich and direct perception has the potential to entirely change the way we address the molecular-level analysis of complex materials, systems, and processes in general, thereby opening novel perspectives in data-driven systems biology and “omics” approaches. The inauguration of Europe’s first 12 Tesla FTICR mass spectrometer at the GSF National Research Center for Environment and Health provided the opportunity to hear expert views on novel research dedicated to the molecularlevel characterization of complex systems. A dozen presentations organized in four sessions were delivered during the “First International Symposium on UltrahighResolution Mass Spectrometry for the Molecular Level Analysis of Complex (BioGeo)Systems”, held at the GSF on November 6 and 7, 2006 (www.gsf.de/FTMS2006). In session one, General Foundations of FTICR Mass Spectrometry, Alan G. Marshall (National High Magnetic Field Laboratory, Tallahassee, USA) provided a wideranging overview about the currently available opportunities of FTMS in molecular-resolution analysis: High-field Fourier transform ion cyclotron resonance mass spectrometry: a platform for “omics”. Then, Eugene N. Nikolaev (Institute of Biochemical Physics, Moscow, Russian Federation) investigated the complex trajectories of ions in FTMS cells: The new possibilities in ion clouds dynamic simulation using supercomputers. Application to FTICR and quadrupole devices. Arnd Ingendoh (Bruker Daltonics, Bremen, Germany) provided an overview about current and foreseeable trends in modern mass spectrometry: Mass spectrometry and beyond—new areas of applications. Session two, From Biological Chemistry to Chemical Biology, focused on life sciences applications. Jeremy K. Nicholson (Division of Surgery, Oncology, Reproductive Biology and Anaesthetics, Imperial College, London, UK) produced a comprehensive assessment about integrated views in “omics” sciences (Metabonomics and top-down systems biology: from personalized healthcare to molecular epidemiology) and Hannelore Daniel (Technical University Munich, Weihenstephan, Germany) complemented this interesting and versatile perspective with The bottom-up approach: from individual genes to the systems biology level of nutrition. Michael Sattler (European Molecular Biology Laboratory, Heidelberg, Germany and GSF Research Center Anal Bioanal Chem (2007) 389:1309–1310 DOI 10.1007/s00216-007-1589-0