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基于SLIM的高分辨率离子移动性光谱-质谱的蛋白质学无参考碰撞横截面校准策略的评估

Dylan H Ross¹, Jung Yun Lee¹, Yuqian Gao¹

¹Earth and Biological Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.

Journal of the American Society for Mass Spectrometry

|June 12, 2024

概括

一种新的无参考方法校准了离子移动性光谱 (IMS) 碰撞截面 (CCS) 的值,而不需要预定义的校准器. 这提高了复杂的 -omics分析的CCS准确性和可重复性,特别是在蛋白质组学中.

科学领域:

分析化学分析化学
生物化学生化学
蛋白质组学是指蛋白质组学.

背景情况:

离子移动光谱法 (IMS) 与质谱法 (MS) 结合,为复杂样品提供了强大的分离维度.
来自IMS的碰撞截面 (CCS) 对于 -omics研究中的自信注释至关重要.
准确的CCS确定严重依赖于有效的校准策略,传统上需要预定义的校准器.

研究的目的:

开发和验证一种新的无参考方法,用于电离流动性光谱学 (IMS) 中的碰撞横截面 (CCS) 校准.
为了提高CCS测量的准确性,可重复性和可转移性,而不依赖于明确的校准器.
在蛋白质组学应用中展示该方法的实用性,使用基于IMS-MS的无损离子操纵 (SLIM) 的高分辨率结构.

主要方法:

开发了一个无参考的CCS校准策略,利用已识别的特征之间的趋势和计算CCS预测.
数据采集后进行了校准,消除了对预定义校准器的需求.
该方法应用于用于无损离子操纵 (SLIM) 的高分辨率结构的基于IMS-MS的蛋白质组学.

主要成果:

无参考校准策略在蛋白质组学方面得到了成功的证明.
使用合成类药物验证了衍生的CCS值的准确性.
该方法在分析来自细胞溶解物的复杂混合物方面被证明有效.

结论:

开发的无参考CCS校准方法提高了基于IMS的-omics分析的可靠性.
这种方法为传统校准技术提供了更灵活,更强大的替代方案.
该战略具有很大的潜力,可以在各种科学领域推进复杂的样本表征.

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