Quality assessment of traditional Chinese medicine herb couple by high-performance liquid chromatography and mass spectrometry combined with chemometrics

• Published in: Journal of separation science 2016-04, Vol.39 (7), p.1223-1231
• Main Authors: Cheng, Tao-fang, Jia, Yu-ran, Zuo, Zheng, Dong, Xin, Zhou, Ping, Li, Ping, Li, Fei
• Format: Article
• Language: English
• Subjects: Chemometrics; Chinese medicine; Chromatography; Chromatography, High Pressure Liquid; Cluster Analysis; Drugs, Chinese Herbal - analysis; Drugs, Chinese Herbal - chemistry; Herb couples; Herbs; Hierarchical cluster analysis; High performance liquid chromatography; Ingredients; Joining; Mass spectrometry; Medicine, Chinese Traditional; Molecular Structure; Principal Component Analysis; Scientific imaging; Searching; Separation; Tandem Mass Spectrometry; Traditional Chinese medicine
• ISSN: 1615-9306; 1615-9314
• DOI: 10.1002/jssc.201501259

This study was designed to develop a simple, specific and reliable method to overall analyze the chemical constituents in clematidis radix et rhizome/notopterygii rhizome et radix herb couple using high‐performance liquid chromatography coupled with tandem mass spectrometry and multiple chemometric analysis. First, the separation and qualitative analysis of herb couple was achieved on an Agilent Zorbax Eclipse Plus C18 column (250 mm × 4.6 mm, 5 μm), and 69 compounds were unambiguously or tentatively identified. Moreover, in quantitative analysis, eight ingredients including six coumarins and two triterpenoid sapogenins were quantified by high‐performance liquid chromatography coupled with tandem mass spectrometry. In terms of good linearity (r2 ≥ 0.9995) with a relatively wide concentration range, recovery (85.40–102.50%) and repeatability (0.99–4.45%), the validation results suggested the proposed method was reliable, and successfully used to analyze ten batches of herb couple samples. Then, hierarchical cluster analysis and principal component analysis were used to classify samples and search significant ingredients. The results showed that ten batches of herb couple samples were classified into three groups, and six compounds were found for its better quality control.