超高效液相色谱-四极杆飞行时间质谱法快速鉴定甘舒诺丹胶囊化学成分
崔雪洁1，许先梅2，许震2，钱志刚2，荣梅芬2，卓茵2，杜茂波1
1. 中国中医科学院中药研究所，北京 100700； 2. 芜湖市诺康生物科技有限公司，安徽芜湖 241000
Rapid identification of chemical constituents in Ganshu Nuodan Capsule by ultra high performance liquid chromatography-quadrupole -time of flight-mass spectrometry
CUI Xuejie, XU Xianmei, XU Zhen, QIAN Zhigang, RONG Meifen, ZHUO Yin, DU Maobo1 2 2 2 2 2 1
1. Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China; 2. Wuhu NOK Biotechnology Co., Ltd., Wuhu 241000, China
摘要：采用超高效液相色谱 -四极杆飞行时间串联质谱（UPLC-Q-TOF/MS）法对甘舒诺丹胶囊的化学成分进行快速鉴定。根据质谱数据结合自建数据库，利用相对分子质量、碎片离子信息以及裂解规律等方式鉴定甘舒诺丹胶囊中的化学成分，应用 UNIFI 2.0 软件的二元比较功能实现了各化合物的归属。从甘舒诺丹胶囊中鉴定出 76 种化学成分，包括 21 种醌类成分，18 种黄酮类成分，11 种有机酸类成分，7 种萜类成分，3 种香豆素类成分，1 种木脂素类成分，15种其它成分，全面反映了甘舒诺丹胶囊中具有药理活性的化学物质和各个药材的特征性成分，为中药复方胶囊化学成分的快速鉴定、药效物质基础的发现以及临床的合理应用提供了数据参考。
Abstract：A method of ultra high performance liquid chromatography-quadrupole-time of flight-tandem mass spectrometry (UPLC-Q-TOF/MS) was developed to rapidly identify the chemical constituents in Ganshu Nuodan Capsule. Combined with the self-built databases, the chemical components in this capsule were identified by accurate relative molecular mass, fragment ion information and fragmentation law. The attribution of each compound was realized by using the binary comparison function of UNIFI 2.0 software. A total of 76 compounds were identified from this capsule, including 21 quinones, 18 flavonoids, 11 organic acids, 7 terpenes, 3 coumarins, 1 lignans and 15 other components. It showed that the pharmacological active chemical substances in this capsule and the characteristic components of each medicinal material were comprehensively reflected, which provided a data reference for the rapid identification, the discovery of efficacy basis and clinical application of the chemical substances in capsules of traditional chinese medicines.
关键词：甘舒诺丹胶囊；超高效液相色谱-四极杆飞行时间串联质谱法；化学成分
Keywords：Ganshu Nuodan Capsule; UPLC-Q-TOF/MS; chemical constituents
本文引用格式：
崔雪洁，许先梅，许震，等.超高效液相色谱-四极杆飞行时间质谱法快速鉴定甘舒诺丹胶囊化学成分[J].化学分析计量，2023，32
(10)：86.CUI Xuejie，XU Xianmei，XU Zhen，et al. Rapid identification of chemical constituents in Ganshu Nuodan Capsule by ultra highperformance liquid chromatography-quadrupole-time of flight-mass spectrometry[J]. Chemical Analysis and Meterage，2023，32(10)：86.
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