title: Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.
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.
authors.affiliation: Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK.
authors.forename: Maria A
authors.initials: MA
authors.lastname: van Agthoven
authors.affiliation: Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK.
authors.forename: Mark P
authors.initials: MP
authors.lastname: Barrow
authors.affiliation: NMRTEC, Bld. Sébastien Brandt, Bioparc - Bat. B, 67400, Illkirch-Graffenstaden, France.
authors.forename: Lionel
authors.initials: L
authors.lastname: Chiron
authors.affiliation: NMRTEC, Bld. Sébastien Brandt, Bioparc - Bat. B, 67400, Illkirch-Graffenstaden, France.
authors.forename: Marie-Aude
authors.initials: MA
authors.lastname: Coutouly
authors.affiliation: School of Pharmacy, University of Maryland, Baltimore, MD, 21201, USA.
authors.forename: David
authors.initials: D
authors.lastname: Kilgour
authors.affiliation: Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK.
authors.forename: Christopher A
authors.initials: CA
authors.lastname: Wootton
authors.affiliation: Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK.
authors.forename: Juan
authors.initials: J
authors.lastname: Wei
authors.affiliation: Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK.
authors.forename: Andrew
authors.initials: A
authors.lastname: Soulby
authors.affiliation: NMRTEC, Bld. Sébastien Brandt, Bioparc - Bat. B, 67400, Illkirch-Graffenstaden, France.|Institut de Génétique et de Biologie Moléculaire et Cellulaire, INSERM, U596; CNRS, UMR7104, Université de Strasbourg, 1 rue Laurent Fries, 67404, Illkirch-Graffenstaden, France.
authors.forename: Marc-André
authors.initials: MA
authors.lastname: Delsuc
authors.affiliation: Miniaturisation pour la Synthèse, l'Analyse & la Protéomique (MSAP), USR CNRS 3290, and Protéomique, Modifications Post-traductionnelles et Glycobiologie, IFR 147 and Institut Eugène-Michel Chevreul, FR CNRS 2638, Université de Lille 1 Sciences et Technologies, 59655, Villeneuve d'Ascq Cedex, France.
authors.forename: Christian
authors.initials: C
authors.lastname: Rolando
authors.affiliation: Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK. p.oconnor@warwick.ac.uk.
authors.forename: Peter B
authors.initials: PB
authors.lastname: O'Connor
mesh_terms: D001274:Atmospheric Pressure; D002784:Cholesterol / Q000737:chemistry*; D017357:Cyclotrons; D004867:Equipment Design; D005583:Fourier Analysis; D007477:Ions / Q000737:chemistry; D013058:Mass Spectrometry / Q000379:methods*; D055668:Photochemical Processes
chemical_list: D007477:Ions; D002784:Cholesterol
keywords: APPI; Atmospheric pressure photoionization; Cholesterol; FT-ICR MS; Fourier transform ion cyclotron resonance mass spectrometry; IRMPD; Infrared multiphoton dissociation; Two-dimensional