Qi, Yulin, Thompson, Christopher J., Orden, Steve L. and O’Connor, Peter B.. (2011) Phase correction of fourier transform ion cyclotron resonance mass spectra using MatLab. Journal of The American Society for Mass Spectrometry, Vol.22 (No.1). pp. 138-147. ISSN 1044-0305

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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.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry T Technology > TP Chemical technology
Divisions:	Faculty of Science > Chemistry
Library of Congress Subject Headings (LCSH):	Fourier transform infrared spectroscopy, Ion cyclotron resonance spectrometry, Mass spectrometry, Resolution (Optics), Phase rule and equilibrium, MATLAB
Journal or Publication Title:	Journal of The American Society for Mass Spectrometry
Publisher:	Springer New York LLC
ISSN:	1044-0305
Date:	January 2011
Volume:	Vol.22
Number:	No.1
Number of Pages:	10
Page Range:	pp. 138-147
Identification Number:	10.1007/s13361-010-0006-7
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Funder:	ExxonMobil Chemical (Firm), University of Warwick, Engineering and Physical Sciences Research Council (EPSRC)
Grant number:	EP/F034210/1 (EPSRC)
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URI:	http://wrap.warwick.ac.uk/id/eprint/40603

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