Xing-Cai Wang, Xing-Ling Ma, Jia-Nan Liu, Yang Zhang, Jia-Ni Zhang, Meng-Han Ma, Feng-Lian Ma, Yong-Jie Yu, Yuanbin She
Data analysis of ultrahigh performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) is an essential and time-consuming step in plant metabolomics and feature extraction is the fundamental step for current tools. Various methods lead to different feature extraction results in practical applications, which may puzzle users for selecting adequate data analysis tools to deal with collected data. In this work, we provide a comprehensive method evaluation for some advanced UHPLC-HRMS data analysis tools in plant metabolomics, including MS-DIAL, XCMS, MZmine, AntDAS, Progenesis QI, and Compound Discoverer...
May 8, 2023: Analytica Chimica Acta