Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MS
Abstract Jieyu Anshen Granule is a traditional Chinese medicine prescription used for depression and primarily comprises five herbal medicines: Zhizi, Chaihu, Zhigancao, Danggui, and Yuanzhi. This study established a traditional Chinese herbal medicine‐specific library using emerging ultra‐high‐perf...
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| Format: | Article |
| Language: | English |
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Wiley-VCH
2025-01-01
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| Series: | ChemistryOpen |
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| Online Access: | https://doi.org/10.1002/open.202400046 |
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| author | Xican Li Jingyuan Zeng Rongxin Cai Chunhou Li Xiaoshan Chen Ban Chen Xiaojun Zhao Sunbal Khan |
| author_facet | Xican Li Jingyuan Zeng Rongxin Cai Chunhou Li Xiaoshan Chen Ban Chen Xiaojun Zhao Sunbal Khan |
| author_sort | Xican Li |
| collection | DOAJ |
| description | Abstract Jieyu Anshen Granule is a traditional Chinese medicine prescription used for depression and primarily comprises five herbal medicines: Zhizi, Chaihu, Zhigancao, Danggui, and Yuanzhi. This study established a traditional Chinese herbal medicine‐specific library using emerging ultra‐high‐performance liquid chromatography‐quadrupole‐orbitrap‐tandem mass spectrometry analysis. Through library comparison, the study has fulfilled isomers distinction. As a result, 47 compounds were simultaneously and putatively identified from Jieyu Anshen Granule, including 12 unexpected compounds and 35 expected compounds. The unexpected compounds comprised cyclocommunol, 5‐hydroxyflavone, tangeretin, 3,5,6,7,8,3’,4’‐heptemethoxyflavone, calycosin‐7‐O‐β‐D‐glucoside, 7,4’‐dihydroxyflavone, naringenin‐7‐O‐β‐D‐glucoside, matrine, betaine, jervine, alantolactone, and hypericin. Among the 35 expected compounds, saikosaponin A, saikosaponin D, glycyrrhizic acid, geniposide, ligustilide, and polygalaxanthone III were further investigated using a quantum chemistry approach. Based on these, an effective quality assessment strategy is proposed for the Pharmacopeia, involving the simultaneous analysis of glycyrrhizic acid, geniposide, ligustilide, polygalaxanthone III, saikosaponins A and D through ultra‐high‐performance liquid chromatography‐quadrupole‐orbitrap‐tandem mass spectrometry analysis. This strategy enables the detection of adulteration in relation to Zhizi, Chaihu, Zhigancao, Danggui, and Yuanzhi in Jieyu Anshen Granule. The findings of unexpected compounds will deepen the understanding of chemistry in Jieyu Anshen Granule. |
| format | Article |
| id | doaj-art-809078bd53b04b0d93a5bc45f43d1ec7 |
| institution | Kabale University |
| issn | 2191-1363 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Wiley-VCH |
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| series | ChemistryOpen |
| spelling | doaj-art-809078bd53b04b0d93a5bc45f43d1ec72025-01-11T07:54:10ZengWiley-VCHChemistryOpen2191-13632025-01-01141n/an/a10.1002/open.202400046Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MSXican Li0Jingyuan Zeng1Rongxin Cai2Chunhou Li3Xiaoshan Chen4Ban Chen5Xiaojun Zhao6Sunbal Khan7School of Chinese Herbal Medicine Guangzhou University of Chinese Medicine Waihuan East Road No. 232, Guangzhou Higher Education Mega Center Guangzhou 510006 ChinaSchool of Chinese Herbal Medicine Guangzhou University of Chinese Medicine Waihuan East Road No. 232, Guangzhou Higher Education Mega Center Guangzhou 510006 ChinaSchool of Chinese Herbal Medicine Guangzhou University of Chinese Medicine Waihuan East Road No. 232, Guangzhou Higher Education Mega Center Guangzhou 510006 ChinaSchool of Chinese Herbal Medicine Guangzhou University of Chinese Medicine Waihuan East Road No. 232, Guangzhou Higher Education Mega Center Guangzhou 510006 ChinaSchool of Chinese Herbal Medicine Guangzhou University of Chinese Medicine Waihuan East Road No. 232, Guangzhou Higher Education Mega Center Guangzhou 510006 ChinaKey Laboratory of Fermentation Engineering (Ministry of Education) Cooperative Innovation Center of Industrial Fermentation (Ministry of Education & Hubei Province) Hubei University of Technology Wuhan 430068 ChinaSchool of Chinese Herbal Medicine Guangzhou University of Chinese Medicine Waihuan East Road No. 232, Guangzhou Higher Education Mega Center Guangzhou 510006 ChinaDepartment of Chemistry University of Malakand Chakdara 18800, Dir Lower, Khyber Pakhtunkhwa PakistanAbstract Jieyu Anshen Granule is a traditional Chinese medicine prescription used for depression and primarily comprises five herbal medicines: Zhizi, Chaihu, Zhigancao, Danggui, and Yuanzhi. This study established a traditional Chinese herbal medicine‐specific library using emerging ultra‐high‐performance liquid chromatography‐quadrupole‐orbitrap‐tandem mass spectrometry analysis. Through library comparison, the study has fulfilled isomers distinction. As a result, 47 compounds were simultaneously and putatively identified from Jieyu Anshen Granule, including 12 unexpected compounds and 35 expected compounds. The unexpected compounds comprised cyclocommunol, 5‐hydroxyflavone, tangeretin, 3,5,6,7,8,3’,4’‐heptemethoxyflavone, calycosin‐7‐O‐β‐D‐glucoside, 7,4’‐dihydroxyflavone, naringenin‐7‐O‐β‐D‐glucoside, matrine, betaine, jervine, alantolactone, and hypericin. Among the 35 expected compounds, saikosaponin A, saikosaponin D, glycyrrhizic acid, geniposide, ligustilide, and polygalaxanthone III were further investigated using a quantum chemistry approach. Based on these, an effective quality assessment strategy is proposed for the Pharmacopeia, involving the simultaneous analysis of glycyrrhizic acid, geniposide, ligustilide, polygalaxanthone III, saikosaponins A and D through ultra‐high‐performance liquid chromatography‐quadrupole‐orbitrap‐tandem mass spectrometry analysis. This strategy enables the detection of adulteration in relation to Zhizi, Chaihu, Zhigancao, Danggui, and Yuanzhi in Jieyu Anshen Granule. The findings of unexpected compounds will deepen the understanding of chemistry in Jieyu Anshen Granule.https://doi.org/10.1002/open.202400046AdulterateChinese medicineGlycyrrhizic acidSaikosaponin ASaikosaponin DUPLC−Q- Orbitrap-MS/MS |
| spellingShingle | Xican Li Jingyuan Zeng Rongxin Cai Chunhou Li Xiaoshan Chen Ban Chen Xiaojun Zhao Sunbal Khan Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MS ChemistryOpen Adulterate Chinese medicine Glycyrrhizic acid Saikosaponin A Saikosaponin D UPLC−Q- Orbitrap-MS/MS |
| title | Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MS |
| title_full | Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MS |
| title_fullStr | Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MS |
| title_full_unstemmed | Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MS |
| title_short | Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MS |
| title_sort | putative identification of 47 compounds from jieyu anshen granule and proposal of pharmacopeia quality assessment strategy using tcm specific library with uhplc q exactive orbitrap ms |
| topic | Adulterate Chinese medicine Glycyrrhizic acid Saikosaponin A Saikosaponin D UPLC−Q- Orbitrap-MS/MS |
| url | https://doi.org/10.1002/open.202400046 |
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