A strategy for rapid discovery of traceable chemical markers in herbal products using MZmine 2 data processing toolbox:A case of Jing Liqueur

• 作者: Jing Zhou Feng-jie Liu Xin-xin Li Ping Li Hua Yang Yuan-cai Liu Yan-he Chen Chao-dan Wei Hui-jun Li
• 来源期刊: 中草药（英文版）
• 年，卷（期）: 2021,（3）
• 所属期刊栏目: Original Articles
• 页码范围: 430-438
• 页数: 9页
• 语种: 英文

摘要

Objective:The quality evaluation of herbal products remains a big challenge.Traceable markers are the core concept of the authentication of herbal products.However,the discovery of traceable markers is labor-intensive and time-consuming.The aim of this study is to develop a convenient approach to rapidly screen the traceable markers for herbal product authentication.Methods:Commercial Jing Liqueur and its 22 species of herbal ingredients were analyzed using HPLC-QTOF-MS and GC-MS to characterize nonvolatile and volatile chemicals.The acquired data were imported into MZmine 2 software for mass detection,chromatogram building,deconvolution and align-ment.The aligned data were exported into a csv file and then traceable markers were selected using the built-in filter function in Excel.Finally,the traceable markers were identified by searching against online databases or publications,some of which were confirmed by reference standards.Results:A total of 288 chemical features transferred from herbal materials to Jing Liqueur product were rapidly screened out.Among them,52 markers detected by HPLC-QTOF-MS were annotated,while nine volatile markers detected by GC-MS were annotated.Moreover,30 of these markers were confirmed by comparing with reference standards.A chemical fingerprint consisting of traceable markers was finally generated to ensure the authentication and quality consistency of Jing Liqueur.Conclusion:A strategy for rapid discovery of traceable markers in herbal products using MZmine 2 soft-ware was developed.