期刊
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
卷 325, 期 -, 页码 19-24出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.ijms.2012.06.010
关键词
FT-ICR MS; Orbitrap; Particle in cell simulation; Filter diagonalization method; Space charge; Isotopic beat
资金
- PIRE: A U.S.-Dutch Mass Spectrometry Consortium for Advanced Modeling and Biological Structure and Imaging Applications
- National Science Foundation Office of International Science and Engineering [OISE-730072]
- National Science Foundation [CHE-1058913]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1058913] Funding Source: National Science Foundation
Space-charge perturbs ion motion and affects mass accuracy in ion trapping mass spectrometers. In Fourier transform mass spectrometry (FTMS), both ion-ion and ion-image charge interactions have been examined by experiments and by multiparticle ion simulations using the particle-in-cell (PIC) approach, and the magnitude of observed frequency shifts as a function of ion number agrees with theoretical models. Frequency shifts due to ion-ion interactions have generally been treated in a time-integrated fashion, that is, for the duration of the transient signal. Aizikov and O'Connor have experimentally shown that there is a time-dependence for such interactions, with a periodicity that correlates to the beat period between isotope peaks. Here, we investigate such interactions using PIC simulations and the filter diagonalization method (FDM) for obtaining frequencies from very short durations of the transient. Periodic decreases in observed frequency correlate with ion clouds of isotope peaks coming into phase in their cyclotron orbit. A similar phenomenon is observed in the simulations of ion motion in an Orbitrap mass analyzer, corresponding to the axial motion of isotope groupings moving in and out of phase. (C) 2012 Elsevier B.V. All rights reserved.
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