A strategy for rapid discovery of traceable chemical markers in herbal products using MZmine 2 data processing toolbox : A case of Jing Liqueur
© 2021 Tianjin Press of Chinese Herbal Medicines. Published by ELSEVIER B.V..
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.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2021 |
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| Erschienen: |
2021 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:13 |
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| Enthalten in: |
Chinese herbal medicines - 13(2021), 3 vom: 04. Juli, Seite 430-438 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Zhou, Jing [VerfasserIn] |
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| Links: |
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| Themen: |
GC–MS |
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| Anmerkungen: |
Date Revised 20.09.2022 published: Electronic-eCollection Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1016/j.chmed.2021.05.004 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM346356458 |
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| 100 | 1 | |a Zhou, Jing |e verfasserin |4 aut | |
| 245 | 1 | 2 | |a A strategy for rapid discovery of traceable chemical markers in herbal products using MZmine 2 data processing toolbox |b A case of Jing Liqueur |
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| 500 | |a Date Revised 20.09.2022 | ||
| 500 | |a published: Electronic-eCollection | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a © 2021 Tianjin Press of Chinese Herbal Medicines. Published by ELSEVIER B.V. | ||
| 520 | |a 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 | ||
| 520 | |a 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 | ||
| 520 | |a 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 | ||
| 520 | |a Conclusion: A strategy for rapid discovery of traceable markers in herbal products using MZmine 2 software was developed | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a GC–MS | |
| 650 | 4 | |a HPLC-QTOF-MS | |
| 650 | 4 | |a Jing Liqueur | |
| 650 | 4 | |a MZmine 2 | |
| 650 | 4 | |a herbal products | |
| 650 | 4 | |a traceable markers | |
| 700 | 1 | |a Liu, Feng-Jie |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Xin-Xin |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Ping |e verfasserin |4 aut | |
| 700 | 1 | |a Yang, Hua |e verfasserin |4 aut | |
| 700 | 1 | |a Liu, Yuan-Cai |e verfasserin |4 aut | |
| 700 | 1 | |a Chen, Yan-He |e verfasserin |4 aut | |
| 700 | 1 | |a Wei, Chao-Dan |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Hui-Jun |e verfasserin |4 aut | |
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