GC-MS结合化学计量学方法用于肾茶挥发油的定性分析

目的: 分析研究天然药物肾茶的挥发油化学成分。方法: 采用GC-MS结合化学计量学方法对肾茶挥发油进行定性分析,对GC-MS色谱图中的包埋峰采用自动质谱解卷积鉴定系统(AMDIS)进行识别,对重叠色谱峰采用直观推导式演进特征投影法(HELP)进行分辨,同时计算各组分的程序升温保留指数,以质谱库对解析后的纯组分进行定性。结果: 定性分析出32个成分,其中烃类5种、醇类3种、醛类3种、酸类4种、脂类2种等,每个成分都是对秩图解析后的纯物质,占总含量的90%。结论: 本法可用于肾茶挥发油的定性分析。

Objective: To analyze and research the volatile chemical components in the natural medicine ORthosiphon stamineus.Methods: GC-MS combined with chemometric technology were used for qualitative analysis of the volatile oil from ORthosiphon stamineus.Heuristic evolving latent projections were used to resolve overlapping peaks in chromatograms and the automatic mass spectral deconvolution and identification system(AMDIS)was used for embedding peaks effectively;meanwhile, the temperature-programmed retention index(PTRI)for assistant identification was employed;finally the pure components were qualitatively analyzed by mass spectrum library.Results: Totally, 32 compounds which accounted for 90% of the whole extracts of ORthosiphon stamineus were identified, including 5 hydrocarbons, 3 alcohols, 3 aldehydes, 4 acids, and 2 lipids.Each ingredient was pure according to the rank map analysis.Conclusion: The method can be used for qualitative analysis of volatile oil from ORthosiphon stamineus.