Ion Mobility-Mass Spectrometry Imaging Workflow
Ion Mobility-Mass Spectrometry Imaging Workflow
复制标题
离子淌度-质谱成像工作流程
DOI：
10.1021/jasms.0c00142
复制
发表时间：
2020
影响因子：
3.2
通讯作者：
Laskin, Julia
中科院分区：
文献类型：
--
作者：
Mesa Sanchez, Daniela;Creger, Steve;Singla, Veerupaksh;Kurulugama, Ruwan T.;Fjeldsted, John;Laskin, Julia
质谱成像（MSI）是一种用于生物组织无标记空间分辨分析的强大技术。耦合离子迁移率（IM）分离与MSI允许在迁移率维度上分离等压线，并增加峰分配的置信度。最近，成像实验已经在一些商业上可用的和定制设计的离子迁移率仪器上实施，使IM-MSI实验更广泛地进入MS社区。然而，IM-MSI系统缺乏开放访问的数据分析软件，这是一个瓶颈。在此，我们提出了一种成像工作流程来可视化安捷伦6560离子迁移率四极杆飞行时间系统产生的IM-MSI数据。具体来说，我们开发了一个Python脚本，离子迁移-质谱图像创建脚本（IM-MSIC），它将安捷伦的Mass Hunter Mass Profiler软件与MacCoss实验室的Skyline软件相连接，并生成漂移时间和质量电荷选择离子图像。在工作流程中，Mass Profiler用于非目标特征检测。IM-MSIC脚本调解用户输入数据，利用Skyline的命令行界面提取离子时序图，然后在单个用户界面中进行离子图像生成。随后使用随附脚本中实现的不同工具执行离子图像后处理。虽然目前的工作只展示了安捷伦IM-MSI数据，但这个工作流程可以很容易地适应大多数主要仪器供应商的使用。
Mass spectrometry imaging (MSI) is a powerful technique for the label-free spatially resolved analysis of biological tissues. Coupling ion mobility (IM) separation with MSI allows for separation of isobars in the mobility dimension and increases confidence of peak assignments. Recently, imaging experiments have been implemented on several commercially available and custom-designed ion mobility instruments, making IM-MSI experiments more broadly accessible to the MS community. However, the absence of open access data analysis software for IM-MSI systems presents a bottleneck. Herein, we present an imaging workflow to visualize IM-MSI data produced on the Agilent 6560 ion mobility quadrupole time-of-flight system. Specifically, we have developed a Python script, the ion mobility-mass spectrometry image creation script (IM-MSIC), which interfaces Agilent’s Mass Hunter Mass Profiler software with the MacCoss lab’s Skyline software and generates drift time and mass-to-charge-selected ion images. In the workflow, Mass Profiler is used for an untargeted feature detection. The IM-MSIC script mediates user input of data, extracts ion chronograms utilizing Skyline’s command-line interface, and then proceeds toward ion image generation within a single user interface. Ion image postprocessing is subsequently performed using different tools implemented in accompanying scripts. Though the current work only showcases Agilent IM-MSI data, this workflow can be readily adapted for use with most major instrument vendors.