Patent ID: 8017908

Claim:
A method for analyzing a sample, comprising: injecting the sample into a chromatograph to produce an eluent exiting the chromatograph over time; introducing the eluent into a mass spectrometer to produce mass spectra over time; collecting interleaved mass spectra by alternating the mass spectrometer between a first mode, which collects spectra of unfragmented ions, and a second mode, which collects spectra of fragmented ions, thereby outputting a plurality of mass spectra of the sample at discrete times; storing data of the mass spectra collected in the first mode in a first data matrix; storing data of the mass spectra collected in the second mode in a second data matrix; specifying a matrix of filter coefficients; convolving the matrix of filter coefficients with the first data matrix to generate an unfragmented-ion output convolved matrix; examining the unfragmented-ion output convolved matrix to detect unfragmented ions by identifying peaks in the unfragmented-ion output convolved matrix; convolving the matrix of filter coefficients with the second data matrix to generate a fragmented-ion output convolved matrix; examining the fragmented-ion output convolved matrix to detect fragmented ions by identifying peaks in the fragmented-ion output convolved matrix; and associating, in response to a common retention time, detected unfragmented ions with related counterpart detected fragmented ions as common to a same molecular species.