The use of mass defect in modern mass spectrometry
The use of mass defect in modern mass spectrometry
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DOI：
10.1002/jms.2953
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发表时间：
2012-02-01
影响因子：
2.3
通讯作者：
Sleno, Lekha
中科院分区：
文献类型：
--
作者：
Sleno, Lekha
质量缺陷是指化合物的实际质量与其标称质量之间的差值。多年来，这一概念在质谱分析中得到了越来越多的应用，主要是由于在分析和生物分析化学的许多应用领域中，越来越多地使用能够精确测量质量的高分辨率质谱仪。本文旨在介绍质量缺陷在使用现代MS仪器的应用程序中的不同用途。复杂质谱的可视化可以用Kendrick质量的概念来简化，通过将标称质量绘制为Kendrick质量缺陷的函数，基于碳氢化合物亚基，以及这个主题的轻微变化。复杂质谱数据的质量缺陷滤波已被用于选择性检测感兴趣的化合物，包括药物及其代谢物或内源性化合物，如肽和小分子代谢物。已经应用了几种策略来用含有独特质量缺陷特征的试剂标记分析物，从而将分子转移到质谱中噪声较小的区域，从而增加其可检测性，特别是在蛋白质组学领域。所有这些概念将被涵盖，以介绍感兴趣的读者对高分辨率质谱的质量缺陷分析的大量可能性。版权所有：John Wiley & Sons， Ltd
Mass defect is defined as the difference between a compound's exact mass and its nominal mass. This concept has been increasingly used in mass spectrometry over the years, mainly due to the growing use of high resolution mass spectrometers capable of exact mass measurements in many application areas in analytical and bioanalytical chemistry. This article is meant as an introduction to the different uses of mass defect in applications using modern MS instrumentation. Visualizing complex mass spectra may be simplified with the concept of Kendrick mass by plotting nominal mass as a function of Kendrick mass defect, based on hydrocarbons subunits, as well as slight variations on this theme. Mass defect filtering of complex MS data has been used for selectively detecting compounds of interest, including drugs and their metabolites or endogenous compounds such as peptides and small molecule metabolites. Several strategies have been applied for labeling analytes with reagents containing unique mass defect features, thus shifting molecules into a less noisy area in the mass spectrum, thus increasing their detectability, especially in the area of proteomics. All these concepts will be covered to introduce the interested reader to the plethora of possibilities of mass defect analysis of high resolution mass spectra. Copyright (C) 2012 John Wiley & Sons, Ltd.