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行波离子迁移谱:代谢组学应用

Traveling Wave Ion Mobility Mass Spectrometry: Metabolomics Applications.

作者信息

Paglia Giuseppe, Astarita Giuseppe

机构信息

Institute for Biomedicine, EURAC Research, Bolzano, Italy.

Department of Biochemistry and Molecular & Cellular Biology, Georgetown University, Washington, DC, USA.

出版信息

Methods Mol Biol. 2019;1978:39-53. doi: 10.1007/978-1-4939-9236-2_4.

Abstract

Ion mobility (IM) spectrometry can separate gas-phase ions according to their charge, molecular shape, and size. In recent years, several IM technologies have been integrated with mass spectrometry (MS) and launched as commercially available instrumentation for metabolomics analysis. The addition of IM to MS-based metabolomics workflows provides an additional degree of separation to chromatography and MS resolving power, improving peak capacity and signal-to-noise ratio. Moreover, it makes possible to experimentally derive collision cross section (CCS), which can be used as an additional coordinate for metabolite identification, together with accurate mass and fragmentation information. The addition of CCS to current metabolome database would allow to filter and score molecules based on their CCS values, adding more confidence in the identification process during metabolomics experiments.In this chapter, we present procedures for the integration of travelling-wave (TW)-IM into traditional MS-based metabolomics workflows.

摘要

离子淌度(IM)光谱法可根据气相离子的电荷、分子形状和大小对其进行分离。近年来,几种IM技术已与质谱(MS)相结合,并作为用于代谢组学分析的商用仪器推出。在基于MS的代谢组学工作流程中加入IM,为色谱和MS的分辨能力提供了额外的分离度,提高了峰容量和信噪比。此外,还能够通过实验得出碰撞截面(CCS),它可与精确质量和碎片信息一起用作代谢物鉴定的附加坐标。将CCS添加到当前的代谢组数据库中,将允许根据其CCS值对分子进行筛选和评分,从而在代谢组学实验的鉴定过程中增加更多信心。在本章中,我们介绍了将行波(TW)-IM集成到传统的基于MS的代谢组学工作流程中的程序。

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