A method for analyzing data from a mass spectrometer including obtaining calibrated mass spectral data involving at least one ion with its isotopes, by processing raw spectral data; obtaining library spectral data which has been processed to form calibrated library data; and performing a regression analysis, preferably using matrix operations, between the calibrated mass spectral data and the calibrated library data; and reporting at least one regression coefficient representative of a relative concentrations of a component in a sample which generated the raw spectral data. The invention is also directed to a mass spectrometer system that operates in accordance with the method, a data library of transformed mass spectra, and a method for producing the data library.
This application claims priority from U.S. provisional application Ser. No. 60/466,010 filed on Apr. 28, 2003, the entire contents of which are hereby incorporated by reference. This application also claims priority from U.S. application Ser. No. 10/689,313 filed on Oct. 20, 2003, the entire contents of which are also incorporated by reference herein.
