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首页> 外文期刊>Journal of mass spectrometry: JMS >Investigation of isomeric flavanol structures in black tea thearubigins using ultraperformance liquid chromatography coupled to hybrid quadrupole/ion mobility/time of flight mass spectrometry
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Investigation of isomeric flavanol structures in black tea thearubigins using ultraperformance liquid chromatography coupled to hybrid quadrupole/ion mobility/time of flight mass spectrometry

机译：使用超高效液相色谱-混合四极杆/离子淌度/飞行时间质谱法研究红茶茶豆素中黄烷醇的异构体结构

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摘要

Ultra performance liquid chromatography (UPLC) when coupled to ion mobility (IMS)/orthogonal acceleration time of flight mass spectrometry is a suitable technique for analyzing complex mixtures such as the black tea thearubigins. With the aid of this advanced instrumental analysis, we were able to separate and identify different isomeric components in the complex mixture which could previously not be differentiated by a conventional high performance liquid chromatography/tandem mass spectrometry. In this study, the difference between isomeric structures theasinensins, proanthocyanidins B-type and rutin (quercetin-3O-rutinoside) were studied, and these are present abundantly in many botanical sources. The differentiation between these structures was accomplished according to their acquired mobility drift times differing from the traditional investigations in mass spectrometry, where calculation of theoretical collisional cross sections allowed assignment of the individual isomeric structures. The present work demonstrates UPLC-IMS-MS as an efficient technology for isolating and separating isobaric and isomeric structures existing in complex mixtures discriminating between them according to their characteristic fragment ions and mobility drift times. Therefore, a rational assignment of isomeric structures in many phenolic secondary metabolites based on the ion mobility data might be useful in mass spectrometry-based structure analysis in the future.
机译：当与离子迁移率（IMS）/正交加速飞行时间质谱联用时，超高效液相色谱（UPLC）是一种用于分析复杂混合物（例如红茶茶红素）的合适技术。借助这种先进的仪器分析，我们能够分离和鉴定复杂混合物中的不同异构体成分，这些成分以前无法通过常规高效液相色谱/串联质谱法进行区分。在这项研究中，研究了theasinensins，原花色素B型和芦丁（槲皮素3O-芸香糖苷）的异构体结构之间的差异，这些异构体在许多植物来源中都大量存在。这些结构之间的区别是根据其获得的迁移率漂移时间来完成的，该漂移时间不同于质谱学中的传统研究，在质谱学中，理论碰撞截面的计算允许分配各个异构体结构。目前的工作表明，UPLC-IMS-MS是一种有效的技术，用于分离和分离存在于复杂混合物中的等压和异构结构，根据它们的特征碎片离子和迁移率漂移时间来区分它们。因此，基于离子迁移率数据对许多酚类二级代谢物中的异构体结构进行合理分配，可能在将来基于质谱的结构分析中很有用。

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