title: Computational mass spectrometry for metabolomics: identification of metabolites and small molecules.
authors.affiliation: Department of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, 06120 Halle, Germany. sneumann@ipb-halle.de
authors.forename: Steffen
authors.initials: S
authors.lastname: Neumann
authors.forename: Sebastian
authors.initials: S
authors.lastname: Böcker