There is a growing demand for lower-cost, benchtop analytical instruments with complementary separation capabilities for the screening and characterization of biological samples. In this study, we report on the custom integration of trapped ion mobility spectrometry and ultraviolet photodissociation capabilities in a commercial Paul quadrupolar ion trap multistage mass spectrometer (TIMS-QIT-MSⁿ UVPD platform). A gated TIMS operation allowed for the accumulation of ion mobility separated ion in the QIT, followed by a mass analysis (MS1 scan) or m/z isolation, followed by selected collision induced dissociation (CID) or ultraviolet photodissociation (UVPD) and a mass analysis (MS2 scan). The analytical potential of this platform for the analysis of complex and labile biological samples is illustrated for the case of positional isomers with varying PTM location of the histone H4 tryptic peptide 4-17 singly and doubly acetylated and the histone H3.1 tail (1-50) singly trimethylated. For all cases, a baseline ion mobility precursor molecular ion preseparation was obtained. The tandem CID and UVPD MS2 allowed for effective sequence confirmation as well as the identification of reporter fragment ions associated with the PTM location; a higher sequence coverage was obtained using UVPD when compared to CID. Different from previous IMS-MS implementation, the novel TIMS-QIT-MSⁿ UVPD platform offers a lower-cost alternative for the structural characterization of biological molecules that can be widely disseminated in clinical laboratories.

中文翻译：

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四极离子阱质谱仪中捕获离子淌度光谱和紫外光解离的集成

人们对具有互补分离功能的低成本台式分析仪器的需求不断增长，用于生物样品的筛选和表征。在这项研究中，我们报告了商用保罗四极离子阱多级质谱仪（TIMS-QIT-MS n ^UVPD平台）中捕获离子迁移谱测定和紫外光解离功能的定制集成。门控 TIMS 操作允许在 QIT 中累积离子淌度分离的离子，然后进行质量分析（MS1 扫描）或m / z分离，然后进行选定的碰撞诱导解离 (CID) 或紫外光解离 (UVPD) 和质量分析分析（MS2 扫描）。该平台在分析复杂且不稳定的生物样品方面的分析潜力通过组蛋白 H4 胰蛋白酶肽 4-17 单乙酰化和双乙酰化以及组蛋白 H3.1 尾 (1- 50) 单三甲基化。对于所有情况，都获得了基线离子淌度前体分子离子预分离。串联 CID 和 UVPD MS2 可实现有效的序列确认以及与 PTM 位置相关的报告片段离子的识别；与 CID 相比，使用 UVPD 获得了更高的序列覆盖率。与之前的 IMS-MS 实施不同，新型 TIMS-QIT-MS ⁿ UVPD 平台为生物分子的结构表征提供了一种成本更低的替代方案，可在临床实验室中广泛传播。