Department of Chemistry , University of Warwick , Coventry , Midlands CV4 7AL , U.K.
AstraZeneca , Macclesfield , Cheshire SK10 2NA , U.K.
Anal Chem. 2018 Oct 2;90(19):11710-11715. doi: 10.1021/acs.analchem.8b03591. Epub 2018 Sep 21.
With increasing focus on the structural elucidation of polymers, advanced tandem mass spectrometry techniques will play a crucial role in the characterization of these compounds. In this contribution, synthesis and analysis of methyl-initiated and xanthate-terminated poly(2-ethyl-2-oxazoline) using Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) was achieved. Electron capture dissociation (ECD) produced full end group characterization as well as backbone fragmentation including complete sequence coverage of the polymer. A method of fragment ion characterization is also presented with the use of the high-resolution-modified Kendrick mass defect plots as a means of grouping fragments from the same fragmentation pathways together. This type of data processing is applicable to all tandem mass spectrometry techniques for polymer analysis but is made more effective with high mass accuracy methods. ECD FT-ICR MS demonstrates its promising role as a structural characterization technique for polyoxazoline species.
随着人们越来越关注聚合物的结构阐明，先进的串联质谱技术将在这些化合物的表征中发挥关键作用。在本贡献中，使用傅里叶变换离子回旋共振（FT-ICR）质谱（MS）实现了甲基引发和黄原酸端基聚（2-乙基-2-恶唑啉）的合成和分析。电子俘获解离（ECD）产生了完整的端基表征以及骨架断裂，包括聚合物的完整序列覆盖。还提出了一种片段离子表征方法，使用高分辨率修正的肯德里克质量缺陷图作为将来自相同断裂途径的片段分组在一起的一种手段。这种类型的数据处理适用于所有用于聚合物分析的串联质谱技术，但与高质量精度方法结合使用时效果更好。ECD FT-ICR MS 证明了它作为聚恶唑啉类结构表征技术的有前途的作用。
