Advancing Orbitrap Measurements of Collision Cross Sections to Multiple Species for Broad Applications
Advancing Orbitrap Measurements of Collision Cross Sections to Multiple Species for Broad Applications
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DOI：
10.1021/acs.analchem.2c02146
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发表时间：
2022-11-03
影响因子：
7.4
通讯作者：
Brodbelt, Jennifer S.
中科院分区：
文献类型：
--
作者：
James, Virginia K.;Sanders, James D.;Brodbelt, Jennifer S.
碰撞横截面（CCS）是反映离子大小和形状的参数，与高分辨率质量分析一起，通过提供分子质量之外的结构信息，扩展了分子分析的深度。虽然这些测量通常是使用专用离子迁移率电池与质谱仪耦合进行的，但已经出现了通过分析时域瞬态信号的衰减率或FT质谱仪中频域峰值的频宽调制直接提取CCSs的替代方法。这些信息也可以直接从常用工作流程中获得的FTMS质谱中获得，而无需显式访问瞬态或复杂傅立叶谱。以前，这些实验需要在CCS分析之前隔离单个离子的电荷状态，从而限制了通量。在这里，我们通过从常见的质谱文件中确定CCS以及同时估计多种电荷状态的CCS，将Orbitrap CCS测量推向更多的用户和应用，并通过测量由蛋白质碰撞激活产生的片段离子的CCS来展示这些方法。
Measurement of collision cross section (CCS), a parameter reflecting an ion's size and shape, alongside high-resolution mass analysis extends the depth of molecular analysis by providing structural information beyond molecular mass alone. Although these measurements are most commonly undertaken using a dedicated ion mobility cell coupled to a mass spectrometer, alternative methods have emerged to extract CCSs directly by analysis of the decay rates of either time-domain transient signals or the FWHM of frequency domain peaks in FT mass analyzers. This information is also accessible from FTMS mass spectra obtained in commonly used workflows directly without the explicit access to transient or complex Fourier spectra. Previously, these experiments required isolation of individual charge states of ions prior to CCS analysis, limiting throughput. Here we advance Orbitrap CCS measurements to more users and applications by determining CCSs from commonly available mass spectra files as well as estimating CCS for multiple charge states simultaneously and showcase these methods by the measurement of CCSs of fragment ions produced from collisional activation of proteins.