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Eur J Mass Spectrom (Chichester). 2017 Aug;23(4):162-166. doi: 10.1177/1469066717718837.

Effect of ion clouds micromotion on measured signal in Fourier transform ion cyclotron resonance: Computer simulation.

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1 Skolkovo Institute of Science and Technology, Skolkovo, Russia.
2 Institute for Energy Problems of Chemical Physics, Russian Academy of Sciences, Moscow, Russia.
3 Emanuel Institute for Biochemical Physics, Russian Academy of Sciences, Moscow, Russia.
4 Moscow Institute of Physics and Technology, Moscow, Russia.


Particle-in-cell-based realistic simulation of Fourier transform ion cyclotron resonance experiments could be used to generate ion trajectories and a signal induced on the detection electrodes. It has been shown recently that there is a modulation of "reduced" cyclotron frequencies in ion cyclotron resonance signal caused by Coulomb interaction of ion clouds. In this work it was proposed to use this modulation in order to determine frequency difference between an ion of known m/z and all other ions generating signal in ion cyclotron resonance cell. It is shown that with an increase of number of ions in ion cyclotron resonance trap, the modulation index increases, which lead to a decrease in the accuracy of determination of peak intensities by super Fourier transform resolution methods such as filter diagonalization method.


Filter diagonalization method; Fourier transform ion cyclotron resonance mass spectrometry; frequency modulation; particle in cell simulation; simulation; space charge


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