大学化学 >> 2026, Vol. 41 >> Issue (8): 402-410.doi: 10.12461/PKU.DXHX202506107

师生笔谈 上一篇    下一篇

高分辨质谱在有机结构解析中的应用

晏宏, 李远明, 叶克印, 徐春发, 张金水, 钟羽武, 袁耀锋   

  1. 福州大学化学学院, 福建 福州 350108
  • 收稿日期:2025-06-27 录用日期:2025-09-02 发布日期:2026-08-25
  • 通讯作者: 晏宏, 张金水, 钟羽武, 袁耀锋 E-mail:hongyan@fzu.edu.cn;jinshui.zhang@fzu.edu.cn;zhongyuwu@fzu.edu.cn;yaofeng_yuan@fzu.edu.cn Hong Yan, Jinshui Zhang, Yu-Wu Zhong, Yaofeng Yuan
  • 基金资助:
    中国高等教育学会2024年度高等教育科学研究规划课题(24LK0304)；福建省本科高校研究生教育教学研究重大项目(FBJY20230051)；福州大学研究生教育教学改革精品课程建设项目(0480-00489503,FYKC2023010)

Application of high-resolution mass spectrometry for the analysis of organic structures

Hong Yan, Yuanming Li, Ke-Yin Ye, Chunfa Xu, Jinshui Zhang, Yu-Wu Zhong, Yaofeng Yuan   

  1. College of Chemistry, Fuzhou University, Fuzhou 350108, Fujian Province, China
  • Received:2025-06-27 Accepted:2025-09-02 Published:2026-08-25
  • Contact: Hong Yan, Jinshui Zhang, Yu-Wu Zhong, Yaofeng Yuan E-mail:hongyan@fzu.edu.cn;jinshui.zhang@fzu.edu.cn;zhongyuwu@fzu.edu.cn;yaofeng_yuan@fzu.edu.cn

PDF

218

赞

摘要： 由于常用教材中对高分辨质谱(HRMS)的介绍较为笼统，不少学生在高分辨质谱数据分析方面的知识较为欠缺，导致毕业论文和学术论文中关于高分辨质谱部分频频出错。本文针对高分辨质谱中常出现的问题，对高分辨质谱数据解析的基本知识进行了介绍。此外，笔者以中性有机小分子、有机离子、有机金属化合物、有机功能分子、同位素标记物以及稳定自由基化合物为例，介绍了高分辨质谱在这些化合物结构鉴定中的应用。

关键词: 高分辨质谱, 质谱数据解析, 分析, 有机结构

Abstract: Given the limited coverage of high-resolution mass spectrometry (HRMS) in standard textbooks, many students demonstrate insufficient knowledge in HRMS data analysis, resulting in recurrent errors in graduation theses and academic publications concerning this technique. This article examines common challenges in high-resolution mass spectrometry and presents essential principles for HRMS data interpretation. The authors illustrate the utility of HRMS in structural characterization through representative examples including neutral organic small molecules, organic ions, organometallic compounds, functional organic molecules, isotope-labeled compounds, and stable radical species.

Key words: High-resolution mass spectrometry, Mass Data analysis, Analysis, Organic structure