Department of Chemistry, Indiana University, Bloomington, IN 47405, USA.
J Am Soc Mass Spectrom. 2011 May;22(5):804-16. doi: 10.1007/s13361-011-0087-y. Epub 2011 Mar 4.
The origin of non-integer overtone peaks in overtone mobility spectrometry (OMS) spectra is investigated by ion trajectory simulations. Simulations indicate that these OMS features arise from higher-order overtone series. An empirically-derived formula is presented as a means of describing the positions of peaks. The new equation makes it possible to determine collision cross sections from any OMS peak. Additionally, it is extended as a means of predicting the resolving power for any peak in an OMS distribution.
通过离子轨迹模拟研究了泛音迁移谱（OMS）谱中非整数泛音峰的起源。模拟表明，这些 OMS 特征来自更高阶泛音系列。提出了一个经验导出的公式作为描述峰位置的方法。新方程使得从任何 OMS 峰确定碰撞截面成为可能。此外，它还被扩展为一种预测 OMS 分布中任何峰的分辨率的方法。
