May Jody C, Dodds James N, Kurulugama Ruwan T, Stafford George C, Fjeldsted John C, McLean John A
Department of Chemistry, Center for Innovative Technology, Institute for Chemical Biology, Institute for Integrative Biosystems Research and Education, Vanderbilt University, Nashville, TN 37235-1822, USA.
Analyst. 2015 Oct 21;140(20):6824-33. doi: 10.1039/c5an00923e. Epub 2015 Jul 20.
An extensive study of two current ion mobility resolving power theories ("conditional" and "semi-empirical") was undertaken using a recently developed drift tube ion mobility-mass spectrometer. The current study investigates the quantitative agreement between experiment and theory at reduced pressure (4 Torr) for a wide range of initial ion gate widths (100 to 500 μs), and ion mobility values (K0 from 0.50 to 3.0 cm(2) V(-1) s(-1)) representing measurements obtained in helium, nitrogen, and carbon dioxide drift gas. Results suggest that the conditional resolving power theory deviates from experimental results for low mobility ions (e.g., high mass analytes) and for initial ion gate widths beyond 200 μs. A semi-empirical resolving power theory provided close-correlation of predicted resolving powers to experimental results across the full range of mobilities and gate widths investigated. Interpreting the results from the semi-empirical theory, the performance of the current instrumentation was found to be highly linear for a wide range of analytes, with optimal resolving powers being accessible for a narrow range of drift fields between 14 and 17 V cm(-1). While developed using singly-charged ion mobility data, preliminary results suggest that the semi-empirical theory has broader applicability to higher-charge state systems.
利用最近开发的漂移管离子迁移率-质谱仪,对两种当前的离子迁移率分辨率理论(“条件性”和“半经验性”)进行了广泛研究。当前的研究调查了在减压(4托)条件下,对于广泛的初始离子门宽度(100至500微秒)以及代表在氦气、氮气和二氧化碳漂移气体中获得的测量值的离子迁移率值(K0从0.50至3.0平方厘米每伏每秒),实验与理论之间的定量一致性。结果表明,对于低迁移率离子(例如高质量分析物)以及初始离子门宽度超过200微秒的情况,条件性分辨率理论偏离了实验结果。一种半经验性分辨率理论在所研究的整个迁移率和门宽度范围内,提供了预测分辨率与实验结果的紧密相关性。根据半经验性理论对结果进行解释,发现当前仪器的性能对于广泛的分析物具有高度线性,在14至17伏每厘米的狭窄漂移场范围内可获得最佳分辨率。虽然该理论是利用单电荷离子迁移率数据开发的,但初步结果表明,半经验性理论对更高电荷态系统具有更广泛的适用性。