title: Phase correction of Fourier transform ion cyclotron resonance mass spectra using MatLab.
abstract: FT-ICR mass spectrometry has been limited to magnitude mode for almost 40 years due to the data processing methods used. However, it is well known that phase correction of the data can theoretically produce an absorption-mode spectrum with a mass-resolving power that is as much as twice as high as conventional magnitude mode, and that it also improves the quality of the peak shape. Temporally dispersed frequency sweep excitation followed by a time delay before detection results in a steep quadratic variation in the signal phase with frequency. Viewing this, it is possible to find the correct phase function by performing a quadratic least squares fit, modified by iterating through phase cycles until the correct quadratic function is found. Here, we present a robust manual method to rotate these signals mathematically and generate a "phased" absorption-mode spectrum. The method can, in principle, be automated. Baseline correction is also included to eliminate the accompanying baseline drift. The resulting experimental FT-ICR absorption-mode spectra exhibit a resolving power that is at least 50% higher than that of the magnitude mode.
authors.affiliation: Department of Chemistry, University of Warwick, Coventry, UK.
authors.forename: Yulin
authors.initials: Y
authors.lastname: Qi
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Thompson
authors.forename: Steve L
authors.initials: SL
authors.lastname: Van Orden
authors.forename: Peter B
authors.initials: PB
authors.lastname: O'Connor
mesh_terms: D000465:Algorithms; D019295:Computational Biology / Q000379:methods*; D005583:Fourier Analysis; D013058:Mass Spectrometry / Q000379:methods*; D010578:Petroleum / Q000032:analysis
chemical_list: D010578:Petroleum