气相色谱-质谱结合化学计量学分析墨旱莲挥发油的研究 作者:郭方遒,戴慧,张良晓,王向利,梁逸曾 【摘要】目的定性分析墨旱莲的挥发油。方法采用水蒸气蒸馏法提取墨旱莲挥发油,用气相色谱-质谱法进行测定分析,用直观推导式演进特征投影法对二维数据中的重叠峰进行解析,并利用质谱数据库相似度匹配的方法结合程序升温保留指数对挥发油成分进行定性定量分析。结果从挥发油中共鉴定出111种化合物,%,其主要的挥发性成分为:十五烷(%)、α-石竹烯(%)、十七烷(%)和2-甲基-5-异丙基苯酚(%)。结论化学计量学方法可以得到更多更准确的组份含量信息;利用保留指数信息结合质谱数据库相似度匹配的方法可以获得更加可靠的定性结果。 【关键词】墨旱莲; 挥发油; 气相色谱-质谱联用技术; 程序升温保留指数; 直观推导式演进特征投影法 Abstract:ObjectiveTo analyze the volatile oil in Eclipta prostrata oil of Eclipta prostrata was extracted by steam distillation and analyzed by Gas Chromatography Mass Spectrometry(GC-MS). Heuristic Evolving Latent Projection(HELP) was employed to revolve the over-lapping peads,while ponents were analyzed qualitatively by similarity searching in the mass spectral library(NIST05) with retention the above analysis,there were pounds identified,whose contents were % of total them,n-Pentadecane(%),α-Caryophyllene( %),n-Heptadecane(%) and 2-methyl-5-(1-methylethyl)-Phenol(%) were the ponents in the essential oil of Eclipta results show that more ponent information of the in the overlapping peaks can be obtained with the help of chemometric method,and the results obtained from similarity searching conbined with retention indices are more reliable than those from similarity searching alone.
