{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,15]],"date-time":"2026-04-15T22:08:56Z","timestamp":1776290936579,"version":"3.50.1"},"reference-count":40,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2022,7,24]],"date-time":"2022-07-24T00:00:00Z","timestamp":1658620800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Key Research and Development Projects of the Guangdong Province of China","award":["2020B1111110001"],"award-info":[{"award-number":["2020B1111110001"]}]},{"name":"Key Research and Development Projects of the Guangdong Province of China","award":["2018YFC1707900"],"award-info":[{"award-number":["2018YFC1707900"]}]},{"name":"National Key R&amp;D Program of China","award":["2020B1111110001"],"award-info":[{"award-number":["2020B1111110001"]}]},{"name":"National Key R&amp;D Program of China","award":["2018YFC1707900"],"award-info":[{"award-number":["2018YFC1707900"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Nearly 5% of the Shenqi Fuzheng Injection\u2019s dry weight comes from the secondary metabolites of Radix codonopsis and Radix astragali. However, the chemical composition of these metabolites is still vague, which hinders the authentication of Shenqi Fuzheng Injection (SFI). Ultra-high performance liquid chromatography with a charged aerosol detector was used to achieve the profiling of these secondary metabolites in SFI in a single chromatogram. The chemical information in the chromatographic profile was characterized by ion mobility and high-resolution mass spectrometry. Polygonal mass defect filtering (PMDF) combined with Kendrick mass defect filtering (KMDF) was performed to screen potential secondary metabolites. A total of 223 secondary metabolites were characterized from the SFI fingerprints, including 58 flavonoids, 71 saponins, 50 alkaloids, 30 polyene and polycynes, and 14 other compounds. Among them, 106 components, mainly flavonoids and saponins, are contributed by Radix astragali, while 54 components, mainly alkaloids and polyene and polycynes, are contributed by Radix codonopsis, with 33 components coming from both herbs. There were 64 components characterized using the KMDF method, which increased the number of characterized components in SFI by 28.70%. This study provides a solid foundation for the authentification of SFIs and the analysis of its chemical composition.<\/jats:p>","DOI":"10.3390\/molecules27154734","type":"journal-article","created":{"date-parts":[[2022,7,25]],"date-time":"2022-07-25T01:42:13Z","timestamp":1658713333000},"page":"4734","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Authentication of Shenqi Fuzheng Injection via UPLC-Coupled Ion Mobility\u2014Mass Spectrometry and Chemometrics with Kendrick Mass Defect Filter Data Mining"],"prefix":"10.3390","volume":"27","author":[{"given":"Xingdong","family":"Wu","sequence":"first","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yaowen","family":"Liu","sequence":"additional","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"},{"name":"School of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing 210029, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zijia","family":"Zhang","sequence":"additional","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zhihuang","family":"Ou","sequence":"additional","affiliation":[{"name":"Limin Pharmaceutical Factory, Livzon Group Limited, Shaoguan 512028, China"},{"name":"Guangdong Corporate Key Laboratory of High-End Liquid Medicine R&D, Industrilization, Shaoguan 512028, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Guoxiang","family":"Wang","sequence":"additional","affiliation":[{"name":"Limin Pharmaceutical Factory, Livzon Group Limited, Shaoguan 512028, China"},{"name":"Guangdong Corporate Key Laboratory of High-End Liquid Medicine R&D, Industrilization, Shaoguan 512028, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tengqian","family":"Zhang","sequence":"additional","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Huali","family":"Long","sequence":"additional","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8696-9696","authenticated-orcid":false,"given":"Min","family":"Lei","sequence":"additional","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Liangfeng","family":"Liu","sequence":"additional","affiliation":[{"name":"Limin Pharmaceutical Factory, Livzon Group Limited, Shaoguan 512028, China"},{"name":"Guangdong Corporate Key Laboratory of High-End Liquid Medicine R&D, Industrilization, Shaoguan 512028, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wenhua","family":"Huang","sequence":"additional","affiliation":[{"name":"Limin Pharmaceutical Factory, Livzon Group Limited, Shaoguan 512028, China"},{"name":"Guangdong Corporate Key Laboratory of High-End Liquid Medicine R&D, Industrilization, Shaoguan 512028, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jinjun","family":"Hou","sequence":"additional","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wanying","family":"Wu","sequence":"additional","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"},{"name":"Limin Pharmaceutical Factory, Livzon Group Limited, Shaoguan 512028, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"De-an","family":"Guo","sequence":"additional","affiliation":[{"name":"National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"},{"name":"Limin Pharmaceutical Factory, Livzon Group Limited, Shaoguan 512028, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2022,7,24]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"15347354221083968","DOI":"10.1177\/15347354221083968","article-title":"A Single-Arm Phase II Study to Evaluate Efficacy and Safety of First-Line Treatment With DCVAC\/LuCa, Standard of Care Chemotherapy and Shenqi Fuzheng Injection in Advanced (Stage IIIB\/IV) Non-Small Cell Lung Cancer Patients","volume":"21","author":"Liu","year":"2022","journal-title":"Integr. 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