Structure
Journal of Chromatography A
Contents lists available at ScienceDirect journal homepage: www.elsevier.com/locate/chroma Published: 27 April 2021 Abstract Due to the tremendous clinical value, more and more Traditional Chinese Medicines (TCMs) and their。formulae are attracted by world’s attention. QiangHuoShengShi (QHSS) decoction is one of classic TCM。formulae, which is clinically used for treating various rheumatic diseases. However, the phytochemical。constituents of QHSS have rarely been reported. A simple, intelligent, and comprehensive strategy was。developed to characterize the phytochemical-fingerprint and quantify the chemical-markers for precise。quality evaluation of QHSS. Firstly, a new deep-learning assisted mass defect filter (MDF) method was built for rapid and accurate classification of mass spectrum (MS) ions acquired by ultra-high performanceliquid chromatography quadrupole time of flight tandem mass spectrometry (UHPLC-Q-TOF/MS). Subse-quently, herb species-specific chemical-category and characteristic identification were used for further characterization of multi-components. As the result, seven major types of compounds in QHSS were in-telligently differentiated and 183 phytochemical compounds were tentatively identified. Finally, a sensi-tive scheduled multiple reaction monitoring (sMRM) detection method was applied to precisely quantify 37 target analytes in QHSS decoction. This integrated strategy would provide an alternative method for chemical-material basis study of more herbal medicine or natural products. Authentic standards including protocatechuic acid, neochloro-genic acid, chlorogenic acid, cryptochlorogenic acid, caffeic acid,umbelliferone, scopoletin, prim-O-glucosylcimifugin, ferulic acid,agnuside, 10-O-vanilloylaucubin, liquiritin, isoferulic acid, liquir-itin apioside, cimifugin, 4´-O-β-D-glucosyl-5-O-methylvisamminol,isochlorogenic acid C, isoliquiritin apioside, isoliquiritin, liquiritigenin, ononin, formononetin, columbianetin, oxypeucedanin hy-drate, sec-O-glucosylhamaudol, psoralen, isoliquiritigenin, casticin,senkyunolide A, notopterol, imperatorin, phellopterin, neocnidilide,ligustilide, osthole, isoimperatorin, columbianadin, and glycyrrhizicacid were purchased from Chengdu Desite Bio-Technology Co., Ltd(Chengdu, China). The purity of the above standards was higherthan 98%.
作者：乐美天标准品
561
字数：2171
