Variation of the Fourier Transform Mass Spectra Phase Function with Experimental Parameters

Abstract

It has been known for almost 40 years that phase correction of Fourier transform ion cyclotron resonance (FTICR) data can generate an absorption-mode spectrum with much improved peak shape compared to the conventional magnitude-mode. However, research on phasing has been slow due to the complexity of the phase-wrapping problem. Recently, the method for phasing a broadband FTICR spectrum has been solved in the MS community which will surely resurrect this old topic. This paper provides a discussion on the data processing procedure of phase correction and features of the phase function based on both a mathematical treatment and experimental data. Finally, it is shown that the same phase function can be optimized by adding correction factors and can be applied from one experiment to another with different instrument parameters, regardless of the sample measured. Thus, in the vast majority of cases, the phase function needs to be calculated just once, whenever the instrument is calibrated.

Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

“…The mass spectrum was phase-corrected using the Autophaser 6.0 phase correction software [25][26][27][28][29][30][31][32]. All onedimensional (1D) spectra were first externally calibrated in the solariXControl software (Bruker Daltonics, Billerica, MA, USA) using Agilent ESI-L Low Concentration Tuning Mix (Agilent Technologies, Stockport, United Kingdom), and then internally calibrated against the theoretical m/z values of the ions generated by cholesterol using the quadratic calibration function within Data Analysis 4.0 (Bruker Daltonik GmbH, Bremen, Germany) [33].…”

Absorption‐mode spectra on the dynamically harmonized Fourier transform ion cyclotron resonance cell

“…The low‐pressure model is applied when the signal acquisition time < < the damping time, which results in the peak shape of a 'sinc' function, and the high‐pressure model is applied when the signal acquisition time > > the damping time, which results in a peak shape of a 'Lorentzian' function (Fig. in Qi et al …”

Mapping of Neuropeptides in the Crustacean Stomatogastric Nervous System by Imaging Mass Spectrometry

“…While higher magnetic field can utilize shorter transients without a sacrifice of spectral resolution, similar results could be achieved at lower field strengths with only a marginal increase in total measurement time. It is worth noting that for any given field strength, spectral resolution can be effectively doubled through application of a recently reported absorption mode phasing as an alternative to traditional magnitude mode signal processing [57]. …”