The Kendrick analysis for polymer mass spectrometry
The Kendrick analysis for polymer mass spectrometry
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DOI：
10.1002/jms.4480
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发表时间：
2019-12-01
影响因子：
2.3
通讯作者：
Fouquet, Thierry N. J.
中科院分区：
文献类型：
--
作者：
Fouquet, Thierry N. J.
聚合物的质谱通常显示重复的模式，其峰序列以聚合物骨架的重复单元间隔，有时与不同的加合物、链末端或电荷状态络合。无论是手动还是自动，探索复杂的质谱数据或过滤不需要的信号都是繁琐的。相比之下，现在已有60年历史的Kendrick（质量缺陷）分析，当适用于聚合物离子时，产生具有直观的重复模式对齐的可视化二维地图，以及覆盖在一维质谱中的有利的反卷积特征。这篇专题文章报道了最新的和理论上合理的使用肯德里克图作为数据处理工具。该方法不需要样品的先验知识，但提供了有前途的动态能力，用于可视化，过滤，有时分配拥挤的质谱。在整个文本中讨论了聚合物方法的应用示例，但相同的工具可以很容易地扩展到其他应用，包括分析作为污染物/污染物存在的聚合物，以及包含重复部分的其他分析物，例如，油或脂类。在每一种情况下，数据处理都可以从更新的交互式肯德里克分析的应用中受益。
The mass spectrum of a polymer often displays repetitive patterns with peak series spaced by the repeating unit(s) of the polymeric backbones, sometimes complexified with different adducts, chain terminations, or charge states. Exploring the complex mass spectral data or filtering the unwanted signal is tedious whether performed manually or automatically. In contrast, the now 60-year-old Kendrick (mass defect) analysis, when adapted to polymer ions, produces visual two-dimensional maps with intuitive alignments of the repetitive patterns and favourable deconvolution of features overlaid in the one-dimensional mass spectrum. This special feature article reports on an up-to-date and theoretically sound use of Kendrick plots as a data processing tool. The approach requires no prior knowledge of the sample but offers promising dynamic capabilities for visualizing, filtering, and sometimes assigning congested mass spectra. Examples of applications of the approach to polymers are discussed throughout the text, but the same tools can be readily extended to other applications, including the analysis of polymers present as pollutants/contaminants, and to other analytes incorporating a repetitive moiety, for example, oils or lipids. In each of these instances, data processing can benefit from the application of an updated and interactive Kendrick analysis.