SIMION modeling of ion image charge detection in Fourier transform ion cyclotron resonance mass spectrometry
SIMION modeling of ion image charge detection in Fourier transform ion cyclotron resonance mass spectrometry
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DOI：
10.1016/j.ijms.2009.02.009
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发表时间：
2009-06-01
影响因子：
1.8
通讯作者：
Marshall, Alan G.
中科院分区：
文献类型：
--
作者：
Hendrickson, Christopher L.;Beu, Steven C.;Marshall, Alan G.
我们描述了一种基于互惠原理的新型SIMION模型，以模拟离子图像电荷检测并证明其在傅里叶变换离子回旋共振质谱法中的实用性。该模型可容纳任意电极几何形状，磁场的不均匀性，离子中性碰撞，扫描或单频激励，但不考虑离子离子或离子图像电荷力。准确的频域谱反映了FT-ICR质谱的实际特征，包括离子回旋频率的奇次和偶次谐波倍数、捕获频率的奇次和偶次倍数处的边带以及磁控管频率的偶次倍数处的不对称边带。该模型是通用的，并可应用于其他质量分析器，包括四极离子阱，飞行时间，和轨道阱。(C)2009 Elsevier B. V.保留所有权利。
We describe a novel SIMION model, based on the principle of reciprocity, to simulate ion-image charge detection and demonstrate utility for Fourier transform ion cyclotron resonance mass spectrometry. The model accommodates arbitrary electrode geometry, magnetic field inhomogeneity, ion-neutral collisions, and swept or single-frequency excitation, but does not account for ion-ion or ion-image charge forces. Accurate frequency-domain spectra reflect actual features of FT-ICR mass spectra including odd and even harmonic multiples of the ion cyclotron frequency, sidebands at odd and even multiples of the trapping frequency, and asymmetric sidebands at even multiples of the magnetron frequency. The model is general and could be applied to other mass analyzers including the quadrupole ion trap, time-of-flight, and orbitrap. (C) 2009 Elsevier B.V. All rights reserved.