Department of Chemistry , Purdue University , West Lafayette , Indiana 47907 , United States.
Department of Chemistry , The College of New Jersey , Ewing Township , New Jersey 08618 , United States.
Anal Chem. 2019 Nov 5;91(21):13752-13762. doi: 10.1021/acs.analchem.9b03123. Epub 2019 Oct 22.
A two-dimensional tandem mass spectrometry (2D MS/MS) scan has been developed for the linear quadrupole ion trap. Precursor ions are mass-selectively excited using a nonlinear ac frequency sweep at constant rf voltage, while simultaneously, all product ions of the excited precursor ions are ejected from the ion trap using a broad-band waveform. The fragmentation time of the precursor ions correlates with the precursor / value (the first mass dimension) and also with the ejection time of the product ions, allowing the correlation between precursor and product ions. Additionally, the second mass dimension (product ions' / values) is recovered through fast Fourier transform of each mass spectral peak, revealing either intentionally introduced "frequency tags" or the product ion micropacket frequencies, both of which can be converted to product ion / through the classical Mathieu parameters, thereby revealing a product ion mass spectrum for every precursor ion without prior isolation. We demonstrate the utility of this method for analyzing a broad range of structurally related precursor ions, including chemical warfare agent simulants, fentanyls and other opioids, amphetamines, cathinones, antihistamines, and tetracyclic antidepressants.
我们开发了一种用于线性四极离子阱的二维串联质谱（2D MS/MS）扫描技术。通过在恒定射频电压下使用非线性交流频率扫描对前体离子进行质量选择激发，同时使用宽带波形将激发前体离子的所有产物离子从离子阱中逐出。前体离子的碎裂时间与前体离子/值（第一质量维度）相关，也与产物离子的逐出时间相关，从而允许前体离子与产物离子之间的相关性。此外，通过对每个质谱峰进行快速傅里叶变换，恢复第二质量维度（产物离子的/值），从而揭示有意引入的“频率标签”或产物离子微包频率，这两者都可以通过经典的马蒂厄参数转换为产物离子/值，从而无需预先隔离即可为每个前体离子揭示产物离子质谱。我们证明了这种方法对于分析广泛的结构相关前体离子的有用性，包括化学战剂模拟物、芬太尼和其他阿片类药物、苯丙胺、卡他碱、抗组胺药和四环抗抑郁药。
