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Rapid identification of chemical constituents in Xuezhikang Capsule by UPLC-Q-TOF/MSE combined with the establishment of UNIFI MS database
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Guo-fang TIAN1, Lan XUE2, Xi LIU2, Huan PEI2, Yu TANG1, *
Acta Pharmaceutica Sinica | 2023, 58(10) : 2862 - 2874
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Acta Pharmaceutica Sinica | 2023, 58(10): 2862-2874
Rapid identification of chemical constituents in Xuezhikang Capsule by UPLC-Q-TOF/MSE combined with the establishment of UNIFI MS database
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Guo-fang TIAN1, Lan XUE2, Xi LIU2, Huan PEI2, Yu TANG1, *
Affiliations
  • 1. Center of Pharmaceutical Technology, School of Pharmaceutical Sciences, Tsinghua University, Beijing 100084, China
  • 2. Beijing WBL Peking University Biotechnology Co., Ltd., Beijing 100083, China
Published: 2023-10-12 doi: 10.16438/j.0513-4870.2023-0008
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An UPLC-Q-TOF/MSE technology coupled with UNIFI database was used to develop a rapid, high coverage, accurate and efficient chemical composition qualitative method for Xuezhikang Capsule. A UNIFI database was established utilizing compound name, formula, structure, following automatic matching with high-resolution mass numbers, isotope distributions, mass deviations, fragment ion matching, and chromatographic retention features in UNIFI database to achieve the qualitative results of natural products in Xuezhikang Capsules. Combined with manual confirmation, 82 chemical components were identified in Xuezhikang Capsules, and the MS2 fragmentation pathway of typical organic acids, flavonoids, monacrines, and monascus were analyzed to ensure accuracy of the LC-MS workflow. This study clarified the chemical substance basis of Xuezhikang Capsules by LC-MS technology, providing experimental data support for the identification of key quality attributes, quality control and consistency evaluation in the manufacturing process of Xuezhikang Capsules.

UPLC-Q-TOF  /  MSE  /  UNIFI database  /  Xuezhikang Capsule  /  analytical method development
Guo-fang TIAN, Lan XUE, Xi LIU, Huan PEI, Yu TANG. Rapid identification of chemical constituents in Xuezhikang Capsule by UPLC-Q-TOF/MSE combined with the establishment of UNIFI MS database[J]. Acta Pharmaceutica Sinica, 2023 , 58 (10) : 2862 -2874 . DOI: 10.16438/j.0513-4870.2023-0008
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Year 2023 volume 58 Issue 10
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Article Info
doi: 10.16438/j.0513-4870.2023-0008
  • Receive Date：2023-01-05
  • Online Date：2025-11-21
  • Published：2023-10-12
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  • Received：2023-01-05
  • Revised：2023-04-04
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    1. Center of Pharmaceutical Technology, School of Pharmaceutical Sciences, Tsinghua University, Beijing 100084, China
    2. Beijing WBL Peking University Biotechnology Co., Ltd., Beijing 100083, China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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