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

J Am Soc Mass Spectrom. 2015 Dec;26(12):2105-14. doi: 10.1007/s13361-015-1226-7. Epub 2015 Jul 17.

Abstract

Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry is a data-independent analytical method that records the fragmentation patterns of all the compounds in a sample. This study shows the implementation of atmospheric pressure photoionization with two-dimensional (2D) Fourier transform ion cyclotron resonance mass spectrometry. In the resulting 2D mass spectrum, the fragmentation patterns of the radical and protonated species from cholesterol are differentiated. This study shows the use of fragment ion lines, precursor ion lines, and neutral loss lines in the 2D mass spectrum to determine fragmentation mechanisms of known compounds and to gain information on unknown ion species in the spectrum. In concert with high resolution mass spectrometry, 2D Fourier transform ion cyclotron resonance mass spectrometry can be a useful tool for the structural analysis of small molecules. Graphical Abstract ᅟ.

Keywords: APPI; Atmospheric pressure photoionization; Cholesterol; FT-ICR MS; Fourier transform ion cyclotron resonance mass spectrometry; IRMPD; Infrared multiphoton dissociation; Two-dimensional.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Atmospheric Pressure
  • Cholesterol / chemistry*
  • Cyclotrons
  • Equipment Design
  • Fourier Analysis
  • Ions / chemistry
  • Mass Spectrometry / methods*
  • Photochemical Processes

Substances

  • Ions
  • Cholesterol