McLean John A
Department of Chemistry, Vanderbilt Institute of Chemical Biology, Vanderbilt Institute for Integrative Biosystems Research and Education, Vanderbilt University, Nashville, Tennessee 37215, USA.
J Am Soc Mass Spectrom. 2009 Oct;20(10):1775-81. doi: 10.1016/j.jasms.2009.06.016. Epub 2009 Jul 3.
Structural separations on the basis of gas-phase ion mobility-mass spectrometry are increasingly used for the analysis of complex biological samples. As a tool to elucidate biomolecular structure, ion mobility-mass spectrometry methods are unique in that direct molecular structural information is obtained for all resolved species, largely irrespective of the complexity of the sample. Computational approaches are used to interpret and discern structural details consistent with the empirical results. To a first approximation, correlations of mobility with mass allow for qualitative identification of the molecular class to which a particular species belongs. These correlations allow simultaneous characterization of different classes of biomolecules, which provides a means for combining omics measurements, such as lipidomics, proteomics, glycomics, and metabolomics, in the same analysis. Examination of the correlation of fine structure reveals that specific structural motifs, chemical functionality, chemical connectivity, and composition may also be determined, depending on the specific biomolecular class. Mapping the coarse and fine structure in ion mobility-mass spectrometry conformation space measurements provides an atlas for interpretation and discovery in complicated spectra.
基于气相离子淌度-质谱的结构分离越来越多地用于复杂生物样品的分析。作为阐明生物分子结构的工具，离子淌度-质谱方法的独特之处在于，对于所有分离出的物种都能获得直接的分子结构信息，很大程度上与样品的复杂性无关。计算方法用于解释和辨别与实验结果一致的结构细节。初步近似地，淌度与质量的相关性允许对特定物种所属的分子类别进行定性鉴定。这些相关性使得能够同时表征不同类别的生物分子，这为在同一分析中整合组学测量（如脂质组学、蛋白质组学、糖组学和代谢组学）提供了一种手段。对精细结构相关性的研究表明，根据特定的生物分子类别，还可以确定特定的结构基序、化学官能团、化学连接性和组成。绘制离子淌度-质谱构象空间测量中的粗结构和精细结构图谱，为复杂光谱的解释和发现提供了一个图谱集。
