基于LC-MS/MS的分子网络研究进展

Advances in molecular networking based on LC-MS/MS

质谱分子网络(molecular networking,MN)是一种基于液质联用串联技术(LC-MS/MS)的方法,能够在短时间内解析质谱数据,识别已知化合物和鉴别各种各样未知的天然产物及其代谢产物。本文以分子网络为主题,对分子网络的概念以及构建分子网络的步骤进行简要介绍。随后,分别从已知、未知、类似化学成分的快速鉴定、化学成分差异表征及质量控制、指导化学成分的纯化分离、整合分子网络与网络药理学新策略法、特征分子网络五个方面出发对分子网络应用范围等进行阐述;最后,对分子网络进行展望,以期分子网络能够更广泛地应用,促进现代科学研究发展创新。

Molecular networking(MN)is a method based on liquid chromatography-mass spectrometry(LC-MS/MS)that can be used to analyze mass spectrometry data in a short period of time,identify known compounds,and identify various unknown natural products and their metabolites.This article focuses on the concept of molecular networks and briefly introduces the steps involved in their construction.Subsequently,the application scope of molecular networks was elaborated from five aspects:rapid identification of known,unknown,and similar chemical components;characterization and quality control of chemical component differences;guidance on purification and separation of chemical components;integration of molecular networks with new strategies in network pharmacology;and Feature-based Molecular Networking.Finally,this study forecasted the prospects of molecular networking,aiming to be more widely applied and to promote the development and innovation of modern scientific research.