药对川芎-羌活与其单味药挥发油共有组分的分析

利用气相色谱-质谱法分离检测药对川芎-羌活、单味药川芎和羌活的挥发油成分，再采用交互移动窗口因子分析法对药对川芎-羌活与单味药川芎、羌活挥发油成分的共有组分进行了分析，并采用总体积积分法定量。药对川芎-羌活、川芎和羌活的挥发油分别定性了79，65和71个成分，占总含量的95.39%，83.69%和96.04%。药对川芎-羌活分别与川芎、羌活的共有组分为45和63个，三者共有的挥发油组分为31个。药对川芎-羌活挥发油种类基本为两个单味药的加和，挥发油组分主要来自羌活。     

气相色谱-质谱结合化学计量学方法分析中药挥发油成分的研究进展

中药挥发油成分多为药效活性成分,且适合采用气相色谱-质谱分析,但是其中色谱峰重叠现象非常常见,影响了定性定量结果的准确性。利用化学计量学方法对气相色谱-质谱数据中的重叠色谱峰进行解析,有助于对挥发油中结构相似成分的分析,以提高中药材（包括药对）中挥发油成分分析的准确性。本文综述了国内外运用气相色谱-质谱结合化学计量学方法分析单味中药材和药对中挥发油成分的研究进展,并介绍了其主要研究步骤和相关化学计量学方法。     

GC-MS结合自动质谱退卷积鉴定系统和保留指数用于毒芹子挥发油的定性分析

目的 分析食药同源药物毒芹子的挥发油化学成分。方法 采用GC-MS结合化学计量学方法对毒芹子挥发油进行定性分析,色谱图中重叠峰采用自动质谱退卷积鉴定系统(AMDIS)进行识别,同时计算各组分的保留指数,以质谱库对解析后的纯组分进行定性。结果 定性分析出31个成分,主要为烃类、醛类和醇类化合物,其中含量最高的是γ-松油烯(66.29%)。结论 本法能更真实、全面地反映毒芹子中的挥发油成分,为毒芹子开发利用和质量控制提供依据。     

气相色谱-质谱联用结合化学计量学分辨法分析甘松的挥发油成分

目的分析中药甘松的挥发油成分。方法采用气相色谱-质谱联用(GC-MS)结合化学计量学分辨法对甘松挥发油成分进行定性分析,对重叠峰和包埋峰采用直观推导式演进特征投影法(HELP)和选择离子法(SIA)进行分辨,同时计算各组分的程序保留指数(PTRI),用NIST质谱库对解析后的纯组分进行定性。结果定性分析出69种化学成分,占总含量的93.98%。结论GC-MS法结合化学计量学分辨法比单用GC-MS法定性结果更加准确、可靠。     

化学计量学方法用于甘草和芫花及其药对的挥发性成分分析

目的：分析甘草和芫花单味药材及其药对的挥发性成分。方法：以正十四烷为内标,采用气相色谱-质谱联用技术对甘草、芫花的单味药材及其组成的药对的挥发性成分进行测定,利用多种化学计量学方法对产生的二维色谱/质谱数据同时进行分辨和解析,获取各个组分的纯色谱曲线和纯质谱,根据分辨得到的纯质谱在质谱库中进行相似检索以实现对组分的定性。利用转换移动窗口因子分析法对组合前后的成分进行归属分析,采用面积归一化法进行定量。结果：分别在甘草、芫花及其药对中鉴定出34、41和68个成分,占各自挥发油成分的90%、84%和75%。药对中挥发性成分的相对含量与单味药比较差异较大。结论：本试验结果可为中药配伍的研究提供较为重要的依据。     

GC-MS和化学计量学解析法分析白术中挥发油成分

目的分析白术挥发油中的化学成分。方法采用气相色谱-质谱（GC-MS）联用技术对其进行分离检测,利用化学计量学解析法（CRM）对重叠色谱峰进行分辨解析,并结合程序升温保留指数辅助定性,从而对挥发油成分进行准确的定性定量分析。结果共分辨出了33个色谱峰,鉴定了其中29个组分,占白术挥发油总量的95.93%,其中主要化学成分为2-（2-甲氧基）苯甲氧基苯酚、γ-芹子烯和3,7（11）-蛇床二烯等,它们占总挥发油的70.07%,而其他26个组分只占25.86%。结论结合使用CRM解析重叠色谱峰,比单独使用GC-MS能更真实、全面地反映白术中的挥发油化学成分。     

GC-MS和化学计量学解析法分析白术中挥发油成分

目的 分析白术挥发油中的化学成分。方法 采用气相色谱-质谱(GC-MS)联用技术对其进行分离检测,利用化学计量学解析法(CRM)对重叠色谱峰进行分辨解析,并结合程序升温保留指数辅助定性,从而对挥发油成分进行准确的定性定量分析。结果 共分辨出了33个色谱峰,鉴定了其中29个组分,占白术挥发油总量的95.93%,其中主要化学成分为2-(2-甲氧基)苯甲氧基苯酚、γ-芹子烯和3,7(11)-蛇床二烯等,它们占总挥发油的70.07%,而其他26个组分只占25.86%。结论 结合使用CRM解析重叠色谱峰,比单独使用GC-MS能更真实、全面地反映白术中的挥发油化学成分。     

甘肃麻黄挥发油化学成分分析

目的：分析研究甘肃麻黄挥发油成分。方法：采用水蒸汽蒸馏法提取麻黄挥发油，通过气相色谱-质谱（GC-MS）联用技术进行挥发油的成分分析。结果：通过计算机检索、图谱解析共鉴定了60个化学成分，其中草麻黄50个，膜果麻黄44个，分别占其总峰面积的91．33%，90．63％。草麻黄中含量最高的是d-α-松油醇，膜果麻黄中含量最高的是十六烷酸。结论：首次研究了甘肃野生草麻黄及膜果麻黄挥发油化学成分，为合理开发和利用资源提供依据。     

LC-MS/MS法测定麻黄-桂枝药对中11个成分及其溶出影响的探讨

目的 建立麻黄-桂枝药对中原儿茶酸、儿茶素、表儿茶素、丁香醛、香豆素、肉桂醇、肉桂酸、桂皮醛、麻黄碱、伪麻黄碱和甲基麻黄碱11个成分的液相色谱-串联质谱(LC-MS/MS)含量测定方法,并探讨单煎共煎对11个成分溶出的影响。方法 分别以麻黄桂枝共煎液、单煎液、单煎合并液为样品,采用液相色谱-串联质谱法测定8个苯丙素类成分和3个麻黄类生物碱的含量。结果 11个成分在各自范围内均呈良好的线性关系(r≥0.994 8);平均加样回收率为98.30%～100.92%,RSD≤5.85%(n=9);精密度、重复性和稳定性均良好,符合方法学考察要求。麻黄与桂枝共煎时,8个苯丙素类成分煎出量均有不同程度的降低,而3个麻黄类生物碱均有不同程度升高。结论 该方法简便快速、准确可靠,可用于11个成分的含量测定,共煎对麻黄桂枝各自成分的溶出均具有一定的影响。     

辽五味子果实挥发油成分的鉴定

目的　对辽五味子的挥发油成分进行鉴定。方法　利用色质联用仪GC/MS产生的双线性数据,藉化学计量学发展的二维色谱/质谱数据解析方法,得到了各组分的纯色谱曲线和质谱;根据色谱保留时间,同时利用解析所得的纯物质质谱在NIST质谱库进行相似检索对各个组分进行定性分析,最后利用总体积积分法得到定量结果。结果　在辽五味子干燥果实挥发油中共检出56个组分,鉴定了其中49个化合物,占挥发油总量的98.27%。结论　此法大大提高了定性定量分析的准确度,成功地检测出一些色谱分离不完全和低含量的组分。     

野生黄花蒿种子挥发油化学成分的研究

目的研究黄花蒿种子挥发油的化学成分。方法采用水蒸气蒸馏法从湖南雪峰山地区野生黄花蒿种子中提取挥发油,用气相色谱-质谱法对其化学成分进行鉴定,归一化法测定其百分含量。结果共鉴定出39个成分,占挥发油总成分的52%。其中丁香烯环氧化物（8.99%）、丁香烯（6.89%）、1,6,10-Dodecatriene,7,11-di meth-yl-3-methylene-,（E）-（8.16%）和1,6-Cyclodecadiene,1-methyl-5-methylene-8-（1-methylethyl）-,[s-（E,E）]-（4.01%）等4种成分含量较高,约占鉴定出挥发油成分的47%。结论此方法稳定可靠,重视性好,适用于中药挥发油的化学成分分析。     

Analysis of volatile oil in Rhizoma ligustici chuanxiong-Radix paeoniae rubra by gas chromatography-mass spectrometry and chemometric resolution

AIM: To analyze the volatile chemical components of the herbal pair Rhizoma Ligustici chuanxiong-Radix paeoniae rubra (RLC-RPR) and compare them with those of each of the herbs alone. METHODS: Gas chromatography-mass spectrometry (GC-MS), a chemometric resolution technique using the heuristic evolving latent projections (HELP) method, and the overall volume integration method were used. RESULTS: In total, 52, 38, and 61 volatile chemical components in RLC, RPR, and RLC-RPR essential oils were determined, respectively, accounting for 95.14%, 95.19%, and 89.68% of the total contents of essential oil of RLC, RPR, and RLC-RPR, respectively. The main volatile chemical components were butyldienephthalide (20.65%) and ligustilide (50.15%) for RLC; and n-hexadecanoic acid (20.18%), [Z,Z]9,12-octadecadienoic acid (30.11%), 2-hydroxy-benzaldehyde (17.08%) for RPR, and butyldienephthalide (14.80%), and ligustilide (38.91%) for RLC-RPR. The main volatile chemical components of RLC-RPR were almost the same as those of RLC, but the relative amounts were altered. CONCLUSION: The number of volatile chemical components in RLC-RPR was almost equal to the sum of the number in the 2 constituent herbs, but the relative amounts were altered. Furthermore, an acid-base reaction takes place during the process of decocting the herbs. The data gathered in this study may be helpful for understanding the synergistic nature of this herb pair in traditional Chinese medicine.     

Composition and antibacterial activity of the essential oil of Satureja parnassica subsp parnassica

The essential oils of Satureja parnassica subsp. parnassica (samples A and B), were analyzed by means of GC/MS. From the fifty-seven identified constituents representing 98.5 % and 99.35 % of the oils respectively, ( E)-caryophyllene, carvacrol and caryophyllene oxide were the major components of sample A (flowering stage), whereas in sample B (vegetative stage) major components were spathulenol, p-cymene and linalool. The oils were tested against Helicobacter pylori (HP), as well as against six aerobically growing bacteria. Both samples showed a moderate activity against Gram-positive bacteria; sample A oil showed greater anti-HP activity than sample B.     

Miscellaneous contributions to the essential oils of plants from various territories. LI. On the components of essential oils of Torilis japonica (Houtt.) DC

The essential oils of Torilis japonica (Houtt.) DC. (Japanese name, Yabujirami) of the family Umbelliferae were prepared from fresh whole herbs and fruits, and investigated by using gas chromatographic and mass spectrometric analyses. The fruits of this plant had been used as a substitute in Japan for a Chinese crude drug Zya-syo-si: Cnidii Monnieri Fructus. Fifty three components were positively identified in the essential oils. The main components of the essential oil were germacrene-D (57.9-71.8% in the oil), alpha-humulene (2.4-13.2%), bicyclogermacrene (1.9-5.4%), beta-caryophyllene (1.5-4.6%), and delta-cadinene (1.0-1.9%).     

野生清香木鲜叶挥发油的化学成分分析

目的对野生清香水鲜叶挥发油进行成分分析,为清香木挥发油的进一步开发与利用提供科学依据。方法采用水蒸气蒸馏法从野生清香木鲜叶中提取挥发油,利用气相色谱－质谱（GC—MS）连用技术分离分析清香水挥发油组分,各组分相对含量采用GC峰面积归一化法计算。结果分离出50多个组分,并对其中占色谱总峰面积的90％以上的49种成分进行了鉴定,实验结果显示清香木挥发油主要化学成分为α－蒎烯,（＋）－2－蒈烯,γ－萜品烯,松油烯－4－醇等化合物。结论清香木挥发油的大部分成分都具有较大的化工和医药价值,具有广阔市场前景和良好的开发利用潜力。     

Comparative analysis of essential oil components in Pericarpium Citri Reticulatae Viride and Pericarpium Citri Reticulatae by GC-MS combined with chemometric resolution method

The similarities and differences of essential oil components in Pericarpium Citri Reticulatae Viride (PCRV) and Pericarpium Citri Reticulatae (PCR) were investigated by GC-MS combined with a chemometric method, named alternative moving window factor analysis (AMWFA). Furthermore, temperature-programmed retention indices (PTRIs) were used together with mass spectra for identification of the essential oil components. A total of 61 and 59 compounds in the essential oils of PCRV and PCR from three Citrus species were identified, which represented 98.15-99.66% and 97.6-99.84% of their total relative contents, respectively. The essential oils from PCRV and PCR significantly differed both qualitatively and quantitatively. The main compound in the essential oils from PCRV and PCR was d-limonene accounting for 65.61-83.14%. The comparative analysis indicates that AMWFA greatly enhanced the accuracy of quantitative and qualitative results by utilizing information from chromatography and mass spectra. The results obtained may be helpful to find out the possibly bioactive compounds of PCRV and PCR.     

川芎根茎挥发油化学成分的研究

用毛细管气相色谱和色谱—质谱—计算机联用系统对川芎根茎挥发油的化学成分进行了研究。从50m×0.25mm键合甲基硅氧烷弹性石英毛细管色谱柱中分离出180个峰,用保留指数测定,标准品叠加和质谱测定三种方法初步鉴定出40个成分。其主要成分是藁本内酯(58.00%)、3-丁叉苯酞(5.29%)和香桧烯(6.08%)等。     

不同白术栽培品种挥发油化学成分的GC-MS分析

目的:对不同白术栽培品种挥发油化学成分进行比较分析。方法:采用水蒸气蒸馏法提取白术挥发油,用气相色谱-质谱(GC-MS)联用技术对不同白术栽培品种的挥发油化学成分进行测定,用面积归一化法计算其相对含量。结果:鉴定出主流白术主要化学成分27种,占总化合物的84.24%;鉴定出2个变异白术化学成分分别为37种和35种,分别占总化合物的91.92%和94.72%。主流品种主要含苍术酮;变异品种主要含茅苍术醇、β-桉油醇和苍术酮,富含倍半萜醇类。结论:本研究结果可为白术药材的质量评价和控制提供依据。