van Agthoven Maria A, O'Connor Peter B
Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry, CV4 7AL, UK.
Rapid Commun Mass Spectrom. 2017 Apr 30;31(8):674-684. doi: 10.1002/rcm.7836.
Two-dimensional mass spectrometry (2D MS) is a technique that correlates precursor and product ions in a sample without requiring prior ion isolation. Until now, this technique has only been implemented on Fourier transform ion cyclotron resonance mass spectrometers. By coupling 2D MS techniques in linear ion traps (LITs) with a mass analyser with a fast duty cycle (e.g. time-of-flight), data-independent tandem mass spectrometry techniques can be compatible on a liquid chromatography (LC) or gas chromatography (GC) timescale.
The feasibility of 2D MS in a LIT is explored using SIMION ion trajectory calculations.
By applying stored waveform inverse Fourier transform techniques for radial excitation on a LIT, the sizes of ion clouds were found to be modulated according to the ions' resonant frequencies in the LIT. By simulating a laser-based fragmentation at the centre of the LIT after the radius modulation step, product ion abundances were found to be modulated according to the resonant frequency of their precursor.
A 2D mass spectrum could be obtained using the results from the simulation. This in silico model shows the feasibility of 2D MS on a LIT. 2D MS in a LIT allows for tandem mass spectrometry without ion isolation. Copyright © 2017 John Wiley & Sons, Ltd.
二维质谱（2D MS）是一种无需预先进行离子分离就能关联样品中前体离子和产物离子的技术。到目前为止，该技术仅在傅里叶变换离子回旋共振质谱仪上得以应用。通过将线性离子阱（LIT）中的二维质谱技术与具有快速工作周期的质量分析器（如飞行时间质谱仪）相结合，数据非依赖型串联质谱技术可在液相色谱（LC）或气相色谱（GC）的时间尺度上实现兼容。
使用SIMION离子轨迹计算来探究二维质谱在线性离子阱中的可行性。
通过在线性离子阱上应用存储波形逆傅里叶变换技术进行径向激发，发现离子云的大小会根据线性离子阱中离子的共振频率进行调制。通过在半径调制步骤之后模拟线性离子阱中心基于激光的碎裂过程，发现产物离子丰度会根据其前体离子的共振频率进行调制。
利用模拟结果可获得二维质谱图。这个计算机模拟模型显示了二维质谱在线性离子阱上的可行性。线性离子阱中的二维质谱可实现无需离子分离的串联质谱分析。版权所有© 2017约翰威立父子有限公司。
