Comparison of particle-in-cell simulations with experimentally observed frequency shifts between ions of the same mass-to-charge in Fourier transform ion cyclotron resonance mass spectrometry.
Comparison of particle-in-cell simulations with experimentally observed frequency shifts between ions of the same mass-to-charge in Fourier transform ion cyclotron resonance mass spectrometry.
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DOI：
10.1016/j.jasms.2009.10.001
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发表时间：
2010-02
影响因子：
3.2
通讯作者：
Amster IJ
中科院分区：
文献类型：
--
作者：
Leach FE 3rd;Kharchenko A;Heeren RM;Nikolaev E;Amster IJ
以前已经观察到，在傅里叶变换质谱学实验中测量的离子频率取决于捕获离子的数量，即使对于完全由单一质量对电荷组成的群体也是如此。由于相同质量比的离子被认为在它们之间不会产生空间电荷效应，对这种频移的实验观察提出了关于它们的起源的问题。为了确定这种实验观察到的频移的来源，对从102到106个离子的Cs+的单同位素布居进行了多粒子离子轨迹模拟。观察到了与实验行为密切匹配的现象。通过探讨离子数和轨道半径对回旋频率漂移的影响，结果表明，对于单同位素离子布居，频率漂移是由离子与其镜像电荷的相互作用引起的。在模拟中加入第二质量比的离子，可以比较由空间电荷(离子-离子)效应引起的频移的大小，以及离子与其镜像电荷的相互作用。
It has been previously observed that the measured frequency of ions in a Fourier transform mass spectrometry experiment depend upon the number of trapped ions, even for populations consisting exclusively of a single mass-to-charge. Since ions of the same mass-to-charge are thought not to exert a space-charge effect among themselves, the experimental observation of such frequency shifts raises questions about their origin. To determine the source of such experimentally observed frequency shifts, multi-particle ion trajectory simulations have been conducted on monoisotopic populations of Cs+ ranging from 102 ions to 106 ions. A close match to experimental behavior is observed. By probing the effect of ion number and orbital radius on the shift in the cyclotron frequency, it is shown that for a monoisotopic population of ions, the frequency shift is caused by the interaction of ions with their image-charge. The addition of ions of a second mass-to-charge to the simulation allows the comparison of the magnitude of the frequency shift resulting from space-charge (ion-ion) effects versus ion interactions with their image charge.
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DOI：
10.1016/j.jasms.2008.09.028
发表时间：
2009-02
影响因子：
3.2
作者：
Aizikov K;Mathur R;O'Connor PB
通讯作者：
O'Connor PB
DOI：
10.1002/oms.1210260527
发表时间：
1991-05-01
期刊：
ORGANIC MASS SPECTROMETRY
影响因子：
--
作者：
CARAVATTI, P;ALLEMANN, M
通讯作者：
ALLEMANN, M
影响因子：
1.8
作者：
Dahl, DA
通讯作者：
Dahl, DA
DOI：
10.1016/1044-0305(93)87003-u
发表时间：
1993-11-01
影响因子：
3.2
作者：
GORSHKOV, MV;MARSHALL, AG;NIKOLAEV, EN
通讯作者：
NIKOLAEV, EN
影响因子：
1.8
作者：
Hendrickson, Christopher L.;Beu, Steven C.;Marshall, Alan G.
通讯作者：
Marshall, Alan G.