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The Kendrick analysis for polymer mass spectrometry.
Journal of Mass Spectrometry ( IF 1.9 ) Pub Date : 2019-12-01 , DOI: 10.1002/jms.4480
Thierry N J Fouquet 1
Affiliation  

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.

中文翻译:

聚合物质谱的Kendrick分析。

聚合物的质谱通常显示出重复的图案,其峰系列被聚合物主链的一个或多个重复单元隔开,有时会与不同的加合物,链末端或电荷态络合。无论是手动还是自动执行,探索复杂的质谱数据或过滤不想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)分析适用于聚合物离子时,可以生成直观的二维图,具有直观的重复图案排列和覆盖在一维质谱图上的特征的反褶积图。这篇专题文章报道了Kendrick曲线作为数据处理工具的最新使用以及理论上的合理使用。该方法不需要样品的先验知识,而是提供了有希望的动态功能,用于可视化,过滤以及有时分配拥塞的质谱图。在全文中讨论了该方法在聚合物上的应用实例,但是相同的工具可以轻松扩展到其他应用,包括分析以污染物/污染物形式存在的聚合物,以及掺入重复部分的其他分析物,例如油类。或脂质。在每种情况下,数据处理都可以从更新的交互式Kendrick分析中受益。包括分析作为污染物/污染物存在的聚合物,以及对包含重复部分的其他分析物(例如油或脂质)的分析。在每种情况下,数据处理都可以从更新的交互式Kendrick分析中受益。包括分析作为污染物/污染物存在的聚合物,以及对包含重复部分的其他分析物(例如油或脂质)的分析。在每种情况下,数据处理都可以从更新的交互式Kendrick分析中受益。
更新日期:2020-01-08
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