Vladimirov Gleb, Kostyukevich Yury, Kharybin Oleg, Nikolaev Eugene
1 Skolkovo Institute of Science and Technology, Skolkovo, Russia.
2 Institute for Energy Problems of Chemical Physics, Russian Academy of Sciences, Moscow, Russia.
Eur J Mass Spectrom (Chichester). 2017 Aug;23(4):162-166. doi: 10.1177/1469066717718837.
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.
基于粒子模拟的傅里叶变换离子回旋共振实验的逼真模拟可用于生成离子轨迹以及检测电极上感应的信号。最近的研究表明，离子回旋共振信号中“约化”回旋频率存在由离子云的库仑相互作用引起的调制。在这项工作中，提出利用这种调制来确定已知质荷比离子与离子回旋共振池中产生信号的所有其他离子之间的频率差。结果表明，随着离子回旋共振阱中离子数量的增加，调制指数增大，这导致诸如滤波对角化方法等超傅里叶变换分辨率方法测定峰强度的精度降低。
