基于UHPLC-Q-TOF-MS/MS的紫菀药材全成分解析

Identification of chemical constituents in Aster tataricus by UHPLC-Q-TOF-MS

紫菀是临床常用的润肺祛痰止咳药,对于呼吸系统疾病的疗效显著。为全面阐明紫菀的化学成分组成,本研究采用超高效液相色谱-四级杆飞行时间串联质谱联用技术(UHPLC-Q-TOF-MS/MS),建立了一种组合的数据采集及相应的数据挖掘策略。从紫菀中共鉴定了132个化学成分,包括43个萜类、31个黄酮类、22个有机酸类、18个肽类、9个香豆素类、3个甾体类、3个蒽醌类及3个醛类化合物。其中,有59个成分通过与对照品进行比对而确认。本研究不仅可以为紫菀成分的全面解析提供可靠的数据支撑,同时也可以为其他中药及中药复方的药效物质发现提供高效的数据采集及挖掘策略。

The root of Aster tataricus L.f.(RA)has been widely used in the clinic for moistening lung,dispelling phlegm and relieving cough because of its significant therapeutic effects on respiratory diseases.In this study,a systematic data acquisition and mining strategy was established aimed at solving the complexity of the traditional Chinese medicine using ultra high performance liquid chromatography coupled with quadruple time of flight mass spectrometry(UHPLC-Q-TOF-MS).A total of 132 chemical constituents,including 43 terpenes,31 flavonoids,22 organic acids,18 peptides,9 coumarins,3 steroids,3 anthraquinones and 3 aldehydes were identified or tentatively characterized,among which 59 components were confirmed by comparison with the standard references.Meanwhile,the accurate mass measurements of the identified components were all with±5 ppm error.Therefore,this work provided not only reliable data supports for the comprehensive analysis of the chemical constituents in RA,but also provided an efficient data acquisition and mining strategy to profile the chemical constituents for other traditional Chinese medicine complex system.