I am a scientist working in the SOLUTIONS EU project (see below). My research interests are the suspect and non-target screening of environmental contaminants, primarily with LC-HRMS/MS but also GC-MS and applying structure generation to the identification of "unknowns". The contribution of mass spectra to open spectral libraries is an essential part of my work and I am an active member in the MassBank consortium, developing RMassBank in a team. I also work on optimizing compound database search strategies for candidate selection and how to communicate the confidence of high-throughput identification results. Together with Steffen Neumann I founded the CASMI contest for small molecule identification in 2012, now into the fourth round. Further interest areas include property prediction for structure selection and incorporating toxicity information in candidate selection for effect-directed analysis to identify potentially toxic compounds.
Within Eawag I am active in the "Non-target" group working closely with Jennifer Schollee, Michael Stravs, Heinz Singer and Juliane Hollender, as well as with Uwe Schmitt from SIS, ETHZ.
I have several collaborations outside Eawag, including Dr. Markus Meringer (DLR: MOLGEN), Christoph Ruttkies (IPB: MetFrag), Dr. Steffen Neumann (IPB: MetFrag, MetFusion, RMassBank), Drs. Werner Brack, Martin Krauss, Tobias Schulze (UFZ, Dept. EDA), Dr. Annemieke Kolkman (KWR), Dr. Chris Steinbeck and team (EBI), Prof. Nikos Thomaidis (U. Athens)
I am a member of the NORMAN Network and the Metabolite Identification Task Group of the Metabolomics Society. I co-guest-edited the CASMI Special Issue in Metabolites and have reviewed for Analytical Chemistry, Analytica Chimica Acta, Chemosphere, Computers in Biology and Medicine, Environmental Science and Technology, Fresenius Environmental Bulletin, Journal of Toxicology, Science of the Total Environment and Talanta.