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Phase relationships in two-dimensional mass spectrometry.

Maria A van Agthoven1, David P A Kilgour1,2, Alice M Lynch1,3

  • 1Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry, CV4 7AL, UK.

Journal of the American Society for Mass Spectrometry
|October 17, 2019
PubMed
Summary

Investigating phase behavior in two-dimensional mass spectrometry (2D MS) reveals distinct phase characteristics for precursor and fragment ions. Understanding these phase relationships is key to developing algorithms for improved 2D MS data quality.

Keywords:
Data processingFourier transformMass spectrometryPhase correctionTwo-dimensional mass spectrometry

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Area of Science:

  • Analytical Chemistry
  • Spectroscopy
  • Physical Chemistry

Background:

  • Two-dimensional mass spectrometry (2D MS) is a data-independent tandem mass spectrometry technique.
  • It allows correlation of precursor and fragment ion species without prior ion isolation.
  • Understanding phase behavior is crucial for data interpretation and improvement.

Purpose of the Study:

  • To investigate the phase behavior in two-dimensional Fourier transform mass spectrometry (2D FT-MS).
  • To analyze phase-corrected absorption-mode 2D mass spectra.
  • To understand the dependence of phase on various experimental parameters.

Main Methods:

  • Theoretical calculations of phase behavior in 2D MS.
  • Analysis of phase in absorption-mode 2D mass spectra.
  • Comparison of theoretical calculations with experimental data.

Main Results:

  • 2D MS datasets exhibit phase differences in each dimension.
  • Precursor and fragment ions display distinct phase behaviors.
  • Phase dependence on modulation frequency and fragmentation zone shape was observed.

Conclusions:

  • Phase relationships in 2D MS are complex and dimension-dependent.
  • Understanding these phase characteristics is vital for developing phase correction algorithms.
  • Improved phase correction can enhance signal-to-noise ratio and resolving power in 2D MS data.