The invention relates to a method and device for analyzing a sample containing a number of substances. The method comprises the following steps: recording one or more mass spectra (mass spectra data D) of the sample (P); deconvoluting the mass spectra in a first evaluating device (A), which assigns the chromatographic peaks (a) and their associated deconvoluted mass spectra of one substance at a time based on the correspondence with a reference spectrum of the substance, and/or determining the intensity of the obtained peaks of the ions of the mass spectra in an evaluating device (B), which assigns the chromatographic peaks (b) of the ions and their associated mass spectra based on the correspondence of selective ions and their retention time ranges of the peaks (b) with the reference values of the substance predetermined for a substance, and verifying the assignments in a validating device (V).