中药与临床2025，Vol.16Issue(5)：30-36,7.
基于高分辨质谱的21种黄酮类化合物二级碎片数据库构建与完善
Construction and improvement of a secondary fragment database of 21 kinds of flavonoids based on high-resolution mass spectrometry
摘要
Abstract
Objective:This study aims to utilize high-resolution mass spectrometry(UPLC-QE-Orbitrap MS)technology to construct and improve the secondary mass spectrometry fragment database of flavonoids,in order to solve the problems of incom-plete fragment coverage and limited analytical ability existing in traditional mass spectrometry databases.Methods:High-reso-lution mass spectrometry analysis was conducted on 21 common flavonoid reference substances,and the primary molecular ion information and secondary mass spectrometry fragment information were collected.The differences between the actual obtained fragmented data information and the fragmented information in Thermo Fisher's local mzvault database were deeply explored.The differentiated fragments and the fragments not included in the database were analyzed and summarized.Results:84 fragment ions that were not included in the database or whose annotations were questionable were successfully identified and analyzed,and 28 newly discovered key secondary fragments were identified and analyzed.Conclusion:This study provides an original technical paradigm for the dynamic improvement of mass spectrometry databases and enhances the coverage depth and analytical accuracy of existing secondary databases.关键词
高分辨质谱/黄酮类化合物/二级碎片/mzvault数据库Key words
High-resolution Mass spectrometry/flavonoids/secondary fragment/mzvault database分类
医药卫生引用本文复制引用
王迪,王玲珑,张瑞君,邓放..基于高分辨质谱的21种黄酮类化合物二级碎片数据库构建与完善[J].中药与临床,2025,16(5):30-36,7.基金项目
四川省自然科学基金青年基金(2025ZNSFSC1823) （2025ZNSFSC1823）
成都中医药大学"杏林学者"学科人才科研提升计划苗圃人才专项(MPRC2022017) （MPRC2022017）
