{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,25]],"date-time":"2026-08-25T16:56:10Z","timestamp":1787676970917,"version":"build-2784847793"},"reference-count":25,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2024,3,26]],"date-time":"2024-03-26T00:00:00Z","timestamp":1711411200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Natural Science Foundation of China","award":["82304878"],"award-info":[{"award-number":["82304878"]}]},{"name":"National Natural Science Foundation of China","award":["2022JJ40318"],"award-info":[{"award-number":["2022JJ40318"]}]},{"name":"National Natural Science Foundation of China","award":["2022ZYYGN05"],"award-info":[{"award-number":["2022ZYYGN05"]}]},{"name":"National Natural Science Foundation of China","award":["2021XJJJ006"],"award-info":[{"award-number":["2021XJJJ006"]}]},{"DOI":"10.13039\/501100004735","name":"Hunan Provincial Natural Science Foundation","doi-asserted-by":"publisher","award":["82304878"],"award-info":[{"award-number":["82304878"]}],"id":[{"id":"10.13039\/501100004735","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004735","name":"Hunan Provincial Natural Science Foundation","doi-asserted-by":"publisher","award":["2022JJ40318"],"award-info":[{"award-number":["2022JJ40318"]}],"id":[{"id":"10.13039\/501100004735","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004735","name":"Hunan Provincial Natural Science Foundation","doi-asserted-by":"publisher","award":["2022ZYYGN05"],"award-info":[{"award-number":["2022ZYYGN05"]}],"id":[{"id":"10.13039\/501100004735","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004735","name":"Hunan Provincial Natural Science Foundation","doi-asserted-by":"publisher","award":["2021XJJJ006"],"award-info":[{"award-number":["2021XJJJ006"]}],"id":[{"id":"10.13039\/501100004735","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Open Fund of Hunan Province Laboratory of Natural Medicinal Resources and Functions","award":["82304878"],"award-info":[{"award-number":["82304878"]}]},{"name":"Open Fund of Hunan Province Laboratory of Natural Medicinal Resources and Functions","award":["2022JJ40318"],"award-info":[{"award-number":["2022JJ40318"]}]},{"name":"Open Fund of Hunan Province Laboratory of Natural Medicinal Resources and Functions","award":["2022ZYYGN05"],"award-info":[{"award-number":["2022ZYYGN05"]}]},{"name":"Open Fund of Hunan Province Laboratory of Natural Medicinal Resources and Functions","award":["2021XJJJ006"],"award-info":[{"award-number":["2021XJJJ006"]}]},{"name":"Scientific Research Fund of Hunan University of Chinese Medicine","award":["82304878"],"award-info":[{"award-number":["82304878"]}]},{"name":"Scientific Research Fund of Hunan University of Chinese Medicine","award":["2022JJ40318"],"award-info":[{"award-number":["2022JJ40318"]}]},{"name":"Scientific Research Fund of Hunan University of Chinese Medicine","award":["2022ZYYGN05"],"award-info":[{"award-number":["2022ZYYGN05"]}]},{"name":"Scientific Research Fund of Hunan University of Chinese Medicine","award":["2021XJJJ006"],"award-info":[{"award-number":["2021XJJJ006"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Foods"],"abstract":"<jats:p>LC-MS is widely utilized in identifying and tracing plant-derived food varieties but quality control markers screening and accurate identification remain challenging. The adulteration and confusion of Chrysanthemum flowers highlight the need for robust quality control markers. This study established an efficient workflow by integrating UHPLC-Orbitrap-MS\/MS with Compound Discoverer and chemometrics. This workflow enabled the systematic screening of 21 markers from 10,540 molecular features, which effectively discriminated Chrysanthemum flowers of different species and cultivars. The workflow incorporated targeted and untargeted methods by employing diagnostic product ions, fragmentation patterns, mzCloud, mzVault, and in-house databases to identify 206 compounds in the flowers, including 17 screened markers. This approach improved identification accuracy by reducing false positives, eliminating in-source fragmentation interference, and incorporating partial verification utilizing our established compound bank. Practically, this workflow can be instrumental in quality control, geolocation determination, and varietal tracing of Chrysanthemum flowers, offering prospective use in other plant-derived foods.<\/jats:p>","DOI":"10.3390\/foods13071008","type":"journal-article","created":{"date-parts":[[2024,3,26]],"date-time":"2024-03-26T11:05:33Z","timestamp":1711451133000},"page":"1008","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":17,"title":["An Efficient Workflow for Quality Control Marker Screening and Metabolite Discovery in Dietary Herbs by LC-Orbitrap-MS\/MS and Chemometric Methods: A Case Study of Chrysanthemum Flowers"],"prefix":"10.3390","volume":"13","author":[{"given":"Hanwen","family":"Yuan","sequence":"first","affiliation":[{"name":"TCM and Ethnomedicine Innovation & Development International Laboratory, Innovative Material Medical Research Institute, School of Pharmacy, Hunan University of Chinese Medicine, Changsha 410208, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qingling","family":"Xie","sequence":"additional","affiliation":[{"name":"TCM and Ethnomedicine Innovation & Development International Laboratory, Innovative Material Medical Research Institute, School of Pharmacy, Hunan University of Chinese Medicine, Changsha 410208, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ling","family":"Liang","sequence":"additional","affiliation":[{"name":"TCM and Ethnomedicine Innovation & Development International Laboratory, Innovative Material Medical Research Institute, School of Pharmacy, Hunan University of Chinese Medicine, Changsha 410208, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiangyi","family":"Luo","sequence":"additional","affiliation":[{"name":"TCM and Ethnomedicine Innovation & Development International Laboratory, Innovative Material Medical Research Institute, School of Pharmacy, Hunan University of Chinese Medicine, Changsha 410208, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1523-4614","authenticated-orcid":false,"given":"Sai","family":"Jiang","sequence":"additional","affiliation":[{"name":"TCM and Ethnomedicine Innovation & Development International Laboratory, Innovative Material Medical Research Institute, School of Pharmacy, Hunan University of Chinese Medicine, Changsha 410208, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Caiyun","family":"Peng","sequence":"additional","affiliation":[{"name":"TCM and Ethnomedicine Innovation & Development International Laboratory, Innovative Material Medical Research Institute, School of Pharmacy, Hunan University of Chinese Medicine, Changsha 410208, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0876-2205","authenticated-orcid":false,"given":"Wei","family":"Wang","sequence":"additional","affiliation":[{"name":"TCM and Ethnomedicine Innovation & Development International Laboratory, Innovative Material Medical Research Institute, School of Pharmacy, Hunan University of Chinese Medicine, Changsha 410208, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,3,26]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"134471","DOI":"10.1016\/j.foodchem.2022.134471","article-title":"Profiling of naturally occurring proanthocyanidins and other phenolic compounds in a diverse peach germplasm by LC-MS\/MS","volume":"403","author":"Zhang","year":"2023","journal-title":"Food Chem."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1016\/j.tifs.2020.11.021","article-title":"Recent trends in quality control, discrimination and authentication of alcoholic beverages using nondestructive instrumental techniques","volume":"107","author":"Arslan","year":"2021","journal-title":"Trends Food Sci. 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