Patent ID: 7873481
Filing Date: 2011-01-18
Classification: G01N,G16C

Abstract:
1. A method for analyzing a test sample, wherein the test sample comprises at least one compound, the method comprising: a) providing a test sample comprising at least one compound; b) determining the at least one compound in the test sample using chromatography coupled mass spectrometry, thereby generating primary raw data; c) generating raw results from the generated primary raw data by (i) deconvolution of the primary raw data and allocation of the deconvoluted primary raw data to compounds using a reference spectrum and a reference retention index and (ii) allocating intensities and retention times to compounds using predetermined ion masses and time windows; and d) analyzing the generated raw results by validation of the raw results using a validation tool adapted to confirm or invalidate the raw results based on a set of rules, thereby generating a set of validated results, wherein the analysis of the test sample is accompanied by an analysis of at least one reference sample, and wherein the test sample and the reference sample are analyzed in an identical sequence in each step of the method.