title: Theory for spiralling ions for 2D FT-ICR and comparison with precessing magnetization vectors in 2D NMR.
abstract: Two-dimensional (2D) Fourier transform ion cyclotron resonance (FT-ICR) offers an approach to mass spectrometry (MS) that pursuits similar objectives as MS/MS experiments. While the latter must focus on one ion species at a time, 2D FT ICR can examine all possible correlations due to ion fragmentation in a single experiment: correlations between precursors, charged and neutral fragments. We revisited the original 2D FT-ICR experiment that has hitherto fallen short of stimulating significant analytical applications, probably because it is technically demanding. These shortcomings can now be overcome by improved FT-ICR instrumentation and computer hard- and software. We seek to achieve a better understanding of the intricacies of the behavior of ions during a basic two-dimensional ICR sequence comprising three simple monochromatic pulses. Through simulations based on Lorentzian equations, we have mapped the ion trajectories for different pulse durations and phases.
authors.affiliation: École Normale Supérieure-PSL Research University, Département de Chimie, 24, rue Lhomond, 75005 Paris, France. Geoffrey.Bodenhausen@ens.fr and Sorbonne Universités, UPMC Univ Paris 06, LBM, 4, Place Jussieu, 75005 Paris, France and CNRS, UMR 7203 LBM, 75005 Paris, France.
authors.forename: Akansha Ashvani
authors.initials: AA
authors.lastname: Sehgal
authors.affiliation: École Normale Supérieure-PSL Research University, Département de Chimie, 24, rue Lhomond, 75005 Paris, France. Geoffrey.Bodenhausen@ens.fr and Sorbonne Universités, UPMC Univ Paris 06, LBM, 4, Place Jussieu, 75005 Paris, France and CNRS, UMR 7203 LBM, 75005 Paris, France.
authors.forename: Philippe
authors.initials: P
authors.lastname: Pelupessy
authors.affiliation: Univ. Lille, CNRS, USR 3290, MSAP, Miniaturisation pour la Synthèse l'Analyse et la Protéomique, 59 000 Lille, France and Univ. Lille, CNRS, FR 3688, FRABIO, Biochimie Structurale & Fonctionnelle des Assemblages Biomoléculaires, 59 000 Lille, France and Univ. Lille, CNRS, FR 2638, Institut Eugène-Michel Chevreul, 59 000 Lille, France.
authors.forename: Christian
authors.initials: C
authors.lastname: Rolando
authors.affiliation: École Normale Supérieure-PSL Research University, Département de Chimie, 24, rue Lhomond, 75005 Paris, France. Geoffrey.Bodenhausen@ens.fr and Sorbonne Universités, UPMC Univ Paris 06, LBM, 4, Place Jussieu, 75005 Paris, France and CNRS, UMR 7203 LBM, 75005 Paris, France.
authors.forename: Geoffrey
authors.initials: G
authors.lastname: Bodenhausen