Discrimination of isomeric monosaccharide derivatives using collision-induced fingerprinting coupled to ion mobility mass spectrometry.
Discrimination of isomeric monosaccharide derivatives using collision-induced fingerprinting coupled to ion mobility mass spectrometry.
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DOI：
10.1016/j.talanta.2020.121901
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发表时间：
2020-11
期刊：
影响因子：
6.1
通讯作者：
Xinzhou Wu;Yue Zhang;Run Qin;Ping Li;Y. Wen;Zhibin Yin;Zhi-xiang Zhang;Hanhong Xu
中科院分区：
文献类型：
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作者：
Xinzhou Wu;Yue Zhang;Run Qin;Ping Li;Y. Wen;Zhibin Yin;Zhi-xiang Zhang;Hanhong Xu
由于异构体的不均一性在分析科学中普遍存在，因此，充分区分多种异构体，特别是具有各种生物功能的候选异构体是一个艰巨的分析挑战。离子迁移率质谱（IM-MS）在获得分子构象方面取得了令人印象深刻的进展，而共存的结构相似的异构体往往由于市售仪器的有限IM分辨率而无法进行明确的区分。在这里，我们展示了一种能量分辨碰撞诱导指纹（CIF）的方法，以充分区分异构单糖衍生物的组成，连接性和配置方面的不同，而无需复杂的仪器修改。通过简单地增加陷阱单元中的碰撞能量，IM峰的半峰全宽（FWHM）可以显著地变窄至少2倍。由于CIF测量具有良好的重现性，因此可以从CIF光谱中的独特特征值和均方根偏差（RMSD）中充分区分异构体。此外，每个单糖衍生物异构体的二元混合物的快速歧视证明。这一策略将扩大IM-MS平台的视野，在复杂系统中快速区分更广泛的异构体，而不是单糖衍生物，这有助于识别和评估具有未开发功能的创新异构体候选物。
Because of the isomeric heterogeneity that is ubiquitous in analytical science, a formidable analytical challenge is to fully discriminate multiple isomers, especially those candidate isomers with various biological functions. Ion mobility mass spectrometry (IM-MS) has gained impressive advances for gaining molecular conformations, whereas coexisting structurally similar isomers often make unambiguous discrimination impossible due to the limited IM resolution of commercially available instruments. Herein, we demonstrate an energy-resolved collision-induced fingerprint (CIF) method to fully discriminate isomeric monosaccharide derivatives that differ in terms of composition, connectivity and configuration without complex instrument modifications. By simply increasing the collisional energy in the trap cell, the full width at half maximum (FWHM) of IM peaks can be markedly narrowed by at least 2-fold. Given the excellent reproducibility of CIF measurements, the full discrimination of isomers can benefit from their unique feature values and root-mean square deviation (RMSD) in CIF spectra. Moreover, rapid discrimination of each monosaccharide derivate isomer from binary mixtures is demonstrated. This strategy will expand the horizons of IM-MS platform in the rapid differentiation of a wider range of isomers more than monosaccharide derivatives in complex systems, which facilitates the identification and evaluation of innovative isomer candidates with unexplored functions.