Department of Pharmaceutical Chemistry, School of Pharmacy, University of California San Francisco, USA.
Mol Omics. 2020 Apr 1;16(2):147-155. doi: 10.1039/c9mo00178f. Epub 2020 Feb 17.
Intact glycopeptide analysis is becoming more common with developments in mass spectrometry instrumentation and fragmentation approaches. In particular, collision-based fragmentation approaches such as higher energy collisional dissociation (HCD) and radical-driven fragmentation approaches such as electron transfer dissociation (ETD) provide complementary information, but bioinformatic strategies to utilize this combined information are currently lacking. In this work we adapted a software tool, MS-Filter, to search HCD peak list files for predicted Y ions based on matched EThcD results to propose additional glycopeptide assignments. The strategy proved to be extremely powerful for O-glycopeptide data, and also of benefit for N-linked data, where it allowed rescue of low confidence results from database searching.
糖肽完整分析随着质谱仪器和碎片化方法的发展变得越来越普遍。特别是，基于碰撞的碎片化方法（如高能碰撞解离（HCD））和基于自由基的碎片化方法（如电子转移解离（ETD））提供了互补的信息，但目前缺乏利用这种综合信息的生物信息学策略。在这项工作中，我们改编了一个软件工具，MS-Filter，以根据匹配的 EThcD 结果在 HCD 峰列表文件中搜索预测的 Y 离子，以提出额外的糖肽分配。该策略对 O-糖肽数据非常有效，对 N-连接的数据也有帮助，它允许从数据库搜索中挽救低置信度的结果。
