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Quality control of Schizonepeta tenuifolia Briq by solid-phase microextraction gas chromatography/mass spectrometry and principal component analysis

机译:固相微萃取气相色谱/质谱法和主成分分析法控制裂叶荆芥的质量

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The chemical composition of Schizonepeta tenuifolia Briq. (Sch.t.Briq.) is mainly composed of several volatile substances that affect multiple pharmacological targets and provide clinical efficacy. In this work, a headspace/solid-phase microextraction gas chromatography/mass spectrometry (HS-SPME-GC/MS) method was developed to evaluate the profiles of volatile compounds in Sch.t.Briq. The optimization of SPME conditions was carried out using four kinds of fiber, extraction time and temperature, desorption temperature and time, and sample amount. The GC/MS analysis allowed the tentative identification of 21 compounds, with similarities higher than 85%, in accordance with the NIST/Wiley mass spectral library. Major components such as (+)-menthone (14.32%), (-)-pulegone (47.73%), 2-hydroxy-2-isopropenyl-5-methylcyclohexane (5.97%), cis-pulegone oxide (4.12%), and schizonal (5.36%) were identified by comparison of retention time and mass spectral data of standards isolated from Sch.t.Briq. The contents of these compounds were about above 78% against total amounts of volatile compounds extracted from Sch.t. Briq. Based on optimized SPME method, 19 different Sch.t.Briq. samples collected from markets in Korea and China were analyzed to obtain the profiling data of volatile compounds. In addition, principal component analysis (PCA) was performed on the profiling data in order to classify the samples collected from the different regions. PCA could possibly visualize the grouping tendencies of the studied varieties of herbal samples, as well as the identification of the volatiles responsible for discriminating the groups.
机译:Schizonepeta tenuifolia Briq的化学成分。 (Sch.t.Briq。)主要由影响多种药理目标并提供临床疗效的几种挥发性物质组成。在这项工作中,开发了顶空/固相微萃取气相色谱/质谱(HS-SPME-GC / MS)方法来评估Sch.t.Briq中挥发性化合物的分布。使用四种纤维,萃取时间和温度,脱附温度和时间以及样品量对四种纤维进行了优化。根据NIST / Wiley质谱库,GC / MS分析允许对21种化合物进行初步鉴定,相似度高于85%。主要成分包括(+)-薄荷酮(14.32%),(-)-普勒酮(47.73%),2-羟基-2-异丙烯基-5-甲基环己烷(5.97%),顺式-普勒酮氧化物(4.12%)和裂殖体(5.36%)通过比较保留时间和从Sch.t.Briq。这些化合物的含量相对于从Sch.t中提取的挥发性化合物的总量约为78%以上。布里克基于优化的SPME方法,共有19种不同的Sch.t.Briq。分析了从韩国和中国市场收集的样品,以获得挥发性化合物的分析数据。此外,对配置文件数据执行主成分分析(PCA),以对从不同区域收集的样本进行分类。 PCA可能会可视化所研究的草药样本品种的分组趋势,以及识别负责区分各组的挥发物。

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