on 06-14-201401:55 AM - edited on 10-15-202105:23 AM by Closed Account
McClure T, Wright D, Athanas M. ASMS 2014 Poster Purpose: This report demonstrates the feasibility of performing spectral deconvolution on LC-MS fragmentation data where alternating fragmentation energy is not employed.
Methods: Spectral deconvolution is achieved by correlating chromatographic peak
shape functions within a given retention time window. The fragmentation conditions are present in all scans.
Results: The utility of this approach is clearly demonstrated by cleanly deconvolving compounds of interest in a complicated matrix to produce spectra that are quite similar to conventional MS-MS spectra of the same compounds. The resulting deconvolved spectra can be searched against libraries of MS-MS spectra.