A strategy for rapid discovery of traceable chemical markers in herbal prod-ucts using MZmine 2 data processing toolbox: A case of Jing Liqueur |
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Authors: | Jing Zhou Feng-jie Liu Xin-xin Li Ping Li Hua Yang Yuan-cai Liu Yan-he Chen Chao-dan Wei Hui-jun Li |
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Affiliation: | 1. State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing 210009, China;2. Hubei Provincial Key Laboratory for Quality and Safety of Traditional Chinese Medicine Health Food, Jing Brand Co., Ltd., Daye 435100, China;3. Jing Brand Research Institute, Jing Brand Co., Ltd., Daye 435100, China |
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Abstract: | 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 alignment. 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 software was developed. |
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Keywords: | GC-MS herbal products HPLC-QTOF-MS Jing Liqueur MZmine 2 traceable markers |
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