Patent ID: 7606667

Claim:
A method for analyzing a sample containing a plurality of substances, comprising: acquiring mass spectra (mass spectra data D) of the sample (P) received from an upstream chromatograph by means of a measurement device (M), assigning chromatographic peaks (a) and (b) and their associated mass spectra to a respective one of the substances, wherein the assignment is performed in at least one of a first evaluation device (A) and a second evaluation device (B), with the first evaluation device (A) comprising at least one comparing device for comparing the deconvoluted mass spectra with stored reference spectra, and with the second evaluation device (B) comprising at least one comparing device for comparing the mass spectra of the chromatographic peaks of the ions with stored reference spectra; wherein assigning chromatographic peaks includes, in the first evaluation device (A), deconvoluting the mass spectra obtained by the measurement device (M) and assigning the chromatographic peaks (a) and their associated deconvoluted mass spectra to a respective one of the substances on the basis of a match with a reference spectrum of that substance; and wherein assigning chromatographic peaks includes, in the second evaluation device (B), determining the intensity of the peaks, obtained by the measurement device, of the ions in the mass spectra, with ions which are specific for the substance and with their retention time range being preset, and assigning the chromatographic peaks (b) of the ions and their associated mass spectra to the reference values, predetermined for a substance, of that substance on the basis of a match between selective ions and their retention time ranges of the peaks (b); and checking the performed assignments of at least one of the first evaluation device (A) and the second evaluation device (B) in a validation device (V) at least on the basis of peak-oriented rules.