GC-MS结合HELP分析茅苍术中挥发油成分

Analysis of Essential Oil in Atractylodes Lancea by GC-MS and HELP

分析茅苍术挥发油中的化学成分。利用气相色谱-质谱(GC-MS)联用技术对其进行分离检测,结合直观推导式演进特征投影法(HELP)对重叠色谱峰进行分辨解析,从而对挥发油成分进行准确的定性定量分析,同时利用程序升温保留指数辅助定性。共分辨出52个色谱峰,鉴定出其中50个组分,其含量占茅苍术挥发油总量的97.44%,其主要化学成分为:2-(2-甲氧基)苯甲氧基苯酚,其相对含量达29.22%,其次还有2,3-二氢-7-甲氧基-4-甲基-1H-1,5-苯并二氮卓-2-酮(3.72%)、甘香烯(3.64%)、丁子香烯(3.60%)、β-丁子香烯(3.54%)、6S-2,3,8,8-四甲基-三环[5.2.2.0(1,6)]十一(2)烯(3.37%)、雅槛蓝树油烯(2.63%)等,它们占总挥发油的49.72%,而其它43个组分只占47.72%。结合使用直观推导式演进特征投影法解析重叠色谱峰,比单独使用GC-MS法能更真实、全面地反映茅苍术中的挥发油化学成分。

The essential oil components in Atractylodes lancea was analyzed, with gas chromatography - mass spectrometry （GC -MS） combined with heuristic evolving latent projections （HELP）. A useful chemometric resolution method which can be used to resolve overlapping peaks in chromatogram was employed to qualitative and quantitative analysis of the essential oil components, together with the temperature - programmed retention index for assistant identification. A total of 52 chromatographic peaks were resolved, and of these, 50 components in the essential oils of Atractylodes lancea were identified, which accounted for 97.44% of the total relative contents. The main chemical compositions in the studied sample were 2- （2- Methoxyphenoxy）phenol, of which the relative amount accounted for 29.22%, and others： 2,3 - Dihydro -7 -methoxy -4 - methyl - 1H - 1,5 - benzodiazepin -2 - one （3.72%）, Elixene （3.64%）, Caryophyllene （3.60%）, β - Caryophyllene （ 3.54% ）, 6S - 2,3,8,8 - Tetramethyhricyclo [ 5.2.2.0 （ 1,6 ） ] undec - 2 -ene （3.37%）, and Eremophilene （2.63 % ）, etc.. All of these volatile alcohols accounted for about 49.72% of the total essential oils, and the other 43 constituents only accounted for about 47. 72% of the total contents. It could be more really and comprehensively reflected the essential oil components in Atractylodes lancea by GC - MS combined with HELP, which can be used to resolve the overlapping chromatographic peaks, than just used the GC - MS.