2D MS/MS Spectra Recorded in the Time Domain Using Repetitive Frequency Sweeps in Linear Quadrupole Ion Traps.,Analytical Chemistry

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2D MS/MS Spectra Recorded in the Time Domain Using Repetitive Frequency Sweeps in Linear Quadrupole Ion Traps.
Analytical Chemistry ( IF 6.7 ) Pub Date : 2020-06-24 , DOI: 10.1021/acs.analchem.0c01719
Lucas J Szalwinski ₁ , Dylan T Holden ₁ , Nicolás M Morato ₁ , R Graham Cooks ₁

Affiliation

Ion trap mass spectrometers have emerged as powerful on-site analytical platforms, in spite of limited mass resolution, due to their compatibility with ambient ionization methods and ready implementation of tandem mass spectrometry (MS/MS). When operated at constant trapping voltage, ions can be activated at their secular frequencies and all MS/MS experiments can be performed, including the two-dimensional tandem mass scan (2D MS/MS scan) in which all precursor ions and their subsequent product ions are both identified and correlated. In the new method of performing this 2D MS/MS experiment presented here, the precursor ions are excited by a nonlinear (inverse Mathieu q) frequency sweep while the resulting product ions are identified by their ejection time within a repeating orthogonally applied nonlinear (inverse Mathieu q) frequency sweep. This resulting compact representation contains the total fragmentation behavior of a collection of ionized compounds and captures detailed chemical information efficiently (typically in 1 s). The approach is implemented using a simple single mass analyzer instrument. This methodology was tested on three different multicomponent mixtures: drugs of abuse, peptides, and fentanyl analogs. The data are compared with those obtained by more common MS/MS scan methods.

中文翻译：

使用线性四极杆离子阱中的重复频率扫描在时域中记录2D MS / MS光谱。

尽管质量分辨率受到限制，但由于离子阱质谱仪可与环境电离方法兼容并易于实施串联质谱（MS / MS），因此已成为强大的现场分析平台。当在恒定捕获电压下运行时，离子可以其长期频率被激活，并且可以执行所有MS / MS实验，包括二维串联质量扫描（2D MS / MS扫描），其中所有前体离子及其后续产物离子被识别和关联。在此处介绍的执行此二维MS / MS实验的新方法中，前体离子被非线性（逆Mathieu q）扫频，而在重复施加的正交非线性（反Mathieu q）扫频中，通过其喷射时间来识别生成的产物离子。所得的紧凑表示形式包含离子化化合物集合的总裂解行为，并有效地捕获了详细的化学信息（通常在1 s内）。该方法是使用简单的单一质量分析仪仪器实现的。该方法论已在三种不同的多组分混合物上进行了测试：滥用药物，肽和芬太尼类似物。将数据与通过更常见的MS / MS扫描方法获得的数据进行比较。

更新日期：2020-07-21

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