Laboratory of Organic and Macromolecular Chemistry (IOMC) and Jena Center for Soft Mater (JCSM), Friedrich-Schiller-University Jena, Humboldtstr. 10, 07743 Jena, Germany.
Rapid Commun Mass Spectrom. 2011 Jun 30;25(12):1765-78. doi: 10.1002/rcm.5019.
The manual interpretation of tandem mass spectra of synthetic polymers is very time-consuming. Therefore, a new software tool was developed to accelerate the interpretation of spectra obtained without requiring any further knowledge about the polymer class or the fragmentation behavior under high-energy collision-induced dissociation (CID) conditions. The software only requires an alphabetical list of elements and a peak list of the measured substance as an xml file for the evaluation of the chosen mass spectrum. Tandem mass spectra of different homopolymers, like poly(2-oxazoline)s, poly(ethylene glycol) and poly(styrene), were interpreted by the new software tool. This contribution describes a fast and automated software tool for the rapid analysis of homopolymers.
人工解析合成聚合物的串联质谱非常耗时。因此，开发了一种新的软件工具，以加速对在无需了解聚合物类别或高能碰撞诱导解离 (CID) 条件下的碎裂行为的情况下获得的光谱的解释。该软件仅需要一个元素的字母列表和一个以 xml 文件形式的所测物质的峰列表，以便评估所选质谱。不同均聚物（如聚（2-恶唑啉）、聚（乙二醇）和聚苯乙烯）的串联质谱都可以通过新的软件工具进行解析。本贡献描述了一种用于快速分析均聚物的快速且自动化的软件工具。
