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首页> 外文期刊>Chromatography >Multiple-stage Precursor Ion Separation and High Resolution Mass Spectrometry toward Structural Characterization of 2,3-Diacyltrehalose Family from Mycobacterium tuberculosis
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Multiple-stage Precursor Ion Separation and High Resolution Mass Spectrometry toward Structural Characterization of 2,3-Diacyltrehalose Family from Mycobacterium tuberculosis

机译：结核分枝杆菌2,3-二酰基海藻糖家族的结构表征的多级前体离子分离和高分辨率质谱。

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摘要

Mass spectrometry (MS)-based precursor ion isolation, collision-induced dissociation (CID) fragmentation, and detection using linear ion-trap multiple-stage mass spectrometry (LIT MS n ) in combination with high resolution mass spectrometry (HRMS) provides a unique tool for structural characterization of complex mixture without chromatographic separation. This approach permits not only separation of various lipid families and their subfamilies, but also stereoisomers, thereby, revealing the structural details. In this report, we describe the LIT MS n approach to unveil the structures of a 2,3-diacyl trehalose (DAT) family isolated from the cell envelope of Mycobacterium tuberculosis , in which more than 30 molecular species, and each species consisting of up to six isomeric structures were found. LIT MS n performed on both [M + Na] + and [M + HCO 2 ] ? ions of DAT yield complimentary structural information for near complete characterization of the molecules, including the location of the fatty acyl substituents on the trehalose backbone. This latter information is based on the findings of the differential losses of the two fatty acyl chains in the MS 2 and MS 3 spectra; while the product ion spectra from higher stage LIT MS n permit confirmation of the structural assignment.
机译：基于质谱（MS）的前体离子分离，碰撞诱导解离（CID）碎片化以及使用线性离子阱多级质谱（LIT MS n）与高分辨率质谱（HRMS）结合进行检测无需色谱分离即可对复杂混合物进行结构表征的工具。该方法不仅允许分离各种脂质家族及其亚家族，而且允许立体异构体，从而揭示结构细节。在本报告中，我们描述了LIT MS n方法来揭示从结核分枝杆菌的细胞膜中分离出的2,3-二酰基海藻糖（DAT）家族的结构，该分子中有30多个分子种类，每个种类由发现六个异构体结构。 LIT MS n在[M + Na] +和[M + HCO 2]上均进行？ DAT离子可产生互补的结构信息，用于分子的近乎完全表征，包括海藻糖骨架上脂肪酰基取代基的位置。后一信息基于在MS 2和MS 3光谱中两条脂肪酰基链的差异损失的发现。而来自较高级LIT MS n的产物离子谱则可以确认结构分配。

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