探索离子移动性质谱数据文件转换以利用现有工具并启用新的工作流程
Sarah M Stow1, Bryson C Gibbons2, Leonard C Rorrer Iii3
1Agilent Technologies, Santa Clara, California 95051, United States.
Journal of the American Society for Mass Spectrometry
|July 26, 2024
概括
本研究引入了数据转换工具,以简化离子移动性质谱 (IM-MS) 分析. 这些工具将复杂的IM-MS数据调整为标准LC-MS格式,从而实现更广泛的脂管学和蛋白质学软件兼容性.
科学领域:
- 分析化学 分析化学
- 质谱测量质量谱测量
- 生物化学 生化学
背景情况:
- 与LC-MS相结合的离子流动性 (IM) 通过增加一个分离维度来增强复杂的样本分析.
- 当前的数据分析工作流往往难以充分利用LC-IM-MS数据中的丰富信息.
- 为了提取有价值的样本见解,LC-IM-MS数据的完整维度并不总是必要的.
研究的目的:
- 开发数据文件转换工具,以简化IM-MS数据的分析.
- 允许使用现有的LC-MS软件来分析IM-MS数据集.
- 为了减少与处理和分析IM-MS数据相关的复杂性.
主要方法:
- 在PNNL PreProcessor软件中开发数据文件转换工具.
- 实施三个特定的数据转换:IM轴到LC轴映射,漂移时间到CCS/z转换,以及IM/MS碎片化数据到LC-MS DDA格式.
- 使用脂管学和蛋白质学工作流程来证明这些转换.
主要成果:
- 成功地将IM-MS数据调整为标准LC-MS格式.
- 在脂质组学和蛋白质组学分析中,PNNL预处理器工具的证明实用性.
- 能够利用现有的LC-MS分析软件,用于以前复杂的IM-MS数据集.
结论:
- 开发的数据转换工具显著降低了IM-MS数据分析的复杂性.
- 这些转换使研究人员能够从IM分离中获益,同时利用已建立的LC-MS分析管道.
- 这种方法扩大了IM-MS数据在脂管学和蛋白质学等领域的可访问性和应用.
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