Analysis of volatile chemical components of Radix Paeoniae Rubra by gas chromatography-mass spectrometry and chemometric resolution

The volatile chemical components of Radix Paeoniae Rubra (RPR) were analyzed by gas chromatography-mass spectrometry with the method of heuristic evolving latent projections and overall volume integration. The results show that 38 volatile chemical components of RPR are determined, accounting for 95.21% of total contents of volatile chemical components of RPR. The main volatile chemical components of RPR are (Z, Z)-9,12-octadecadienoic acid, n-hexadecanoic acid, 2-hydroxy- benzaldehyde, 1-(2-hydroxy-4-methoxyphenyl)-ethanone, 6,6-dimethyl-bicyclo[3.1.1] heptane-2-methanol, 4,7-dimethyl-benzofuran, 4-(1-methylethenyl)-1-cyclohexene-1-carboxaldehyde, and cyclohexadecane.

Volatile components of Rhizoma Alpiniae Officinarum using three different extraction methods combined with gas chromatography-mass spectrometry

Volatile components from Rhizoma Alpiniae Officinarum were respectively extracted by three methods including hydrodistillation, headspace solid-phase microextraction （HS-SPME） and diethyl ether extraction. A total of 40 （hydrodistillation）, 32 （HS-SPME） and 37 （diethyl ether extraction） compounds were respectively identified by gas chromatography-mass spectrometry （GC/MS） and 22 compounds were overlapped, including β-farnesene, 7-muurolene, 2,6-dimethyl-6- （4-methyl-3-pentenyl）bicyclo[3.1.1]hept-2-ene, eucalyptol and cadina-1（10）, 4-diene and so forth, varying in relative contents. HS-SPME is fast, sample saving and solvent-free and it also can achieve similar profiles as those from hydrodistillation and solvent extraction. Therefore, it can be the priority for extracting volatile components from medicinal plants.

Analysis of volatile components in a Chinese fish sauce,Fuzhou Yulu, by gas chromatography-mass spectrometry

Volatile components of Fuzhou Yulu, a Chinese fish sauce, were analyzed by gas chromatography-mass spectrometry （GC-MS）, and two pretreatment methods, i.e., purge and trap （P＆T） GC-MS and ethyl acetate extraction followed by GC-MS, were compared. P＆T-GC-MS method determined 12 components, including sulfur-containing constituents （such as dimethyl disulfide）, nitrogen-containing constituents （such as pyrazine derivatives）, aldehydes and ketones. Ethyl acetate extraction fol- lowed by GC-MS method detected 10 components, which were mainly volatile organic acids （such as benzenepropanoic acid） and esters. Neither of the two methods detected alcohols or trimethylamine. This study offers an important reference to determine volatile flavor components of traditional fish sauce through modem analysis methods.

Ultrasonic Nebulization Extraction Coupled with Gas Chromatography-Mass Spectrometry for Analysis of Volatile Components in Traditional Chinese Patent Medicine

The ultrasonic nebulization extraction（UNE） was developed and applied to the extraction of volatile components from traditional Chinese patent medicine Xiaoyao Pills. Several parameters of ultrasonic nebulization extraction including the sample particle size, solvent volume, extraction time and ultrasonic power were studied and selected. As a result, 2.4 g of sample with particle size of 80 mesh was extracted with 15 mL of n-hexane for 20 min at an ultrasonic power of 35 W. The volatile components were analyzed by gas chromatography-mass spectrometry （GC-MS） under the optimal conditions and 57 compounds were identified. The precision, repeatability and stability of the proposed method were also studied. Compared with ultrasonic-assisted extraction（UAE） and hydrodistillation（HD） extraction, the proposed method is more efficient, faster and easier to be operated at room temperature with smaller sample and energy consumption. It is suggested that the ultrasonic nebulization extraction can be used as a novel alternative method for the extraction of volatile components from traditional Chinese patent medicine.

Comparative analysis of essential oils found in Rhizomes Curcumae and Radix Curcumae by gas chromatography-mass spectrometry

A comparison of the volatile compounds in Rhizomes Curcumae （Ezhu） and Radix Curcumae （Yujin） was undertaken using gas chromatography mass spectrometi-y （GC-MS）. Ultrasonic extraction and GC-MS methods were developed for the simultaneous determination of five sesquiterpenes, namely, α-pinene, β-elemene, curcumol, germacrone and curdione, in Ezhu and Yunjin. Good linearity （r〉0.999） and high inter-day precision were observed over the investigated concentration ranges. The validated method was successfully used for the simultaneous determination of five sesquiterpenes in Ezhu and Yujin. The quantitative method can be effectively used to evaluate and monitor the quality of Chinese curcuma in clinical use.

Chemical component analysis of volatile oil in drug pair Herba Ephedrae-Ramulus Cinnamomi by GC-MS and CRM

Active volatile components in drug pair(DP)Herba Ephedrae-Ramulus Cinnamomi(HE-RC),single drug HE and RC were analyzed by gas chromatography/mass spectrometry(GC/MS),chemometric resolution method(CRM)and overall volume integration.By means of CRM,the two-dimensional data obtained from GC-MS instruments were resolved into a pure chromatogram and a mass spectrum of each chemical compound.In total,97,62,and 78 volatile chemical components in volatile oil of HE,RC,and DP HE-RC,were respectively determined qualitatively and quantitatively,accounting for 90.08%,91.62%,and 89.76% total contents of volatile oil of HE,RC,and DP HE-RC respectively.It is further demonstrated that the numbers of volatile components of DP HE-RC are almost the sum of those of two single drugs,but some relative contents of them are changed.Some new components,such as 1,6-dimethylhepta-1,3,5-triene,tetracyclo[4.2.1.1(2,5).0(9,10)]deca-3,7-diene,globulol and(E,E)-6,10,14-trimethyl-5,9,13-pentadecatrien-2-one are found in DP HE-RC because of chemical reactions and physical changes during decoction.

Rapid and simultaneous determination of ten off-flavor compounds in water by headspace solid phase microextraction and gas chromatography-mass spectrometry

A simple and sensitive analytical procedure for the determination of multi-component compounds in water samples was developed and optimized using the headspace solid-phase microextraction(HSSPME) coupled with gas chromatography-mass spectrometry(GC-MS). Ten off-flavor compounds, including geosmin(GSM), 2-methylisoborneol(2-MIB), 2-isopropyl-3-methoxypyrazine(IPMP), 2-isobutyl-3-methoxypyrazine(IBMP), β-ionone, trans-2,cis-6-nonadienal(NDE), 2,3,4-trichloroanisole(2,3,4-TCA), 2,3,6-trichroloanisole(2,3,6-TCA), 2,4,6-trichloroanisole(2,4,6-TCA), and 2,4,6-tribromoanisole(2,4,6-TBA) were used as the target analytes. The optimization of extraction parameters including fibers types, extraction time, extraction temperature, stirring rate, sample volume, and ionic strength was carried out through the univariate approach. Ten off-flavor compounds were quantified within 50 min under the optimal conditions. Calibration curves with good linearity(r^2=0.990-0.998) were obtained in the range 1.0/2.0-100 ng/L, while the limits of detection for all compounds were lower than or close to the odor threshold concentration. Furthermore, the proposed method was applied to analyzing and determining the off-flavor compounds in real water samples from water-treatment plants.

Study on the Difference between Volatile Constituents of the Different Parts from <i>Elsholtzia ciliata</i>by SHS-GC-MS

In this study, the comparison of Elsholtzia ciliata volatile compounds from the stem (with leaf) and flower was acquired. The volatile compounds of these two parts from Elsholtzia ciliata aerial parts were respectively analyzed by a rapid and convenient static headspace injection technique coupled with gas chromatography-mass spectrometry and the relative contents of each constituent between the two different parts were determined by peak area normalization. 61 compounds were identified in the stem (with leaf) and flower, among which 39 components simultaneously exist. 47 and 53 compounds were separated and identified in the volatile compounds from the different parts of Elsholtzia ciliata, respectively. There were differences among some volatile constituents of the two parts, but the main constituents were all Elsholtzia ketone, caryophyllene, 3-octanol and Dehydroelsholtzia ketone. The most abundant components in the stem (with leaf) included Elsholtzia ketone (84.20%), caryophyllene (4.3%) and 3-octanol (3.11%), while Elsholtzia ketone (88.03%), caryophyllene (3.33%) and 3-octanol (1.53%) were the main components in the flower. 8 single constituents were identified in the stem (with leaf) volatiles including 3-heptanone and linalool, while 14 constituents only including 2-methylbutanoic acid and Perillene have been found in the flower volatiles. Elsholtzia ketone was the main compound, and its concentration was significantly higher than other substances (>80% of the total oils in Elsholtzia ciliata). The study provided an important scientific base for the further utilization of Elsholtzia ciliata resources and may be helpful for systematically understanding the constituents of volatile compounds of Elsholtzia ciliata.

GC-MS Analysis of Volatile Oils in Mango Leaves from Different Producing Areas

[Objectives]To analyze the composition of volatile oils from mango leaves from different producing areas.[Methods]The volatile oils in mango leaves from different areas was extracted by steam distillation,and the GC-MS method combined with retention index and peak area normalization method was used for qualitative and quantitative analysis.[Results]The volatile oils of mango leaves in southern provinces contained high content of terpenes,such asα-gurjunene(18.39%-34.13%),(+)-viridiflorene(8.95%-16.30%)and(E)-β-ocimene(3.49%-7.63%).The volatile oils components of mango leaves were significantly different in different provinces,for example,mango leaves produced in Hainan Province contained a large amount ofβ-selinene(23.00%),but not in other provinces.[Conclusions]The origin had a great influence on the composition and contents of volatile oils in mango leaves.

GC-MS Analysis and Antibacterial Activity Study of Volatile Oil from 11 Kinds of Aurantii Fructus Immaturus Processed Products

[Objectives]To study the volatile components and antibacterial effects of 11 kinds of Aurantii Fructus Immaturus processed products.[Methods]11 kinds of Aurantii Fructus Immaturus processed products were obtained according to the traditional processing method,the volatile oil was extracted by steam distillation,and the composition of volatile oil in the 11 kinds of processed products was analyzed by gas chromatography-mass spectrometry(GC-MS).the relative percentage content of each component in these 11 kinds of processed products was determined using the peak area normalization.The drug sensitivity activity of the volatile oil of these 11 kinds of processed products was tested using the K-B paper diffusion method and the minimum inhibition volume fraction of volatile oil of these 11 kinds of processed products was tested using the microdilution method.[Results]The highest yield of volatile oil of 11 kinds of these processed products was baking(5.193%),and the lowest was stir-bake to scorch(1.998%).A total of 36 chemical components were identified from the volatile oils of these 11 kinds of processed products.The components with the most volatile oil were stir-bake to scorch(24 kinds),and the components with the least volatile oil were the method of processing with rice-washed water(15 kinds).They contain 8 kinds of common chemical components,such as limonene,linalool,myrcene,α-pinene.The highest content of limonene came from processing with honey(60.93%),the lowest came from processing with rice-washed water(55.25%);the highest content of linalool came from processing with rice-washed water(7.139%),the lowest came from processing with honey(5.436%);the highest content of myrcene came from processing with honey(1.899%),the lowest came from stir-bake to scorch(1.632%);the highest content ofα-pinene came from raw Aurantii Fructus Immaturus(2.355%),and the lowest came from stir-bake to scorch(1.618%).The volatile oil of these 11 kinds of Aurantii Fructus Immaturus processed products has good antibacterial effect on Escherichia coli and Staphylococcus aureus.[Conclusions]The oil yields of volatile oils of 11 kinds of Aurantii Fructus Immaturus processed products are different,the content of limonene is significantly different,and the changes of other chemical components and their contents are not significantly different.The volatile oil of 11 kinds of Aurantii Fructus Immaturus processed products has certain antibacterial effect.

Analysis of the Volatile Components of Polygonum chinense L.Extracted with Different Solvents by GC-MS

[Objectives]This study was conducted to investigate the volatile components of Polygonum chinense L.[Methods]The volatile components of the methanol extract,ethyl acetate extract,chloroform extract and petroleum ether extract of P.chinense were analyzed and determined by gas chromatography.[Results]The volatile components of the methanol extract from P.chinense were the most,and phenolic acids and ketones accounted for a relatively high proportion,among which pyrogallic acid had the highest content.The ethyl acetate extract contained the second most volatile components,mostly acids and esters,of whichβ-sitosterol had the highest content;the chloroform and petroleum ether extracts had relatively few types of volatile components,most of which were alkanes,and the content ofγ-sitosterol shared by the two was the highest.The common substances of the four extracts were palmitic acid and phytol.[Conclusions]This study provides a theoretical basis for the quality evaluation of P.chinense and a scientific basis for its resource development.

Direct Determination of Polychlorinated-Biphenyls in Automotive Shredder Residues by Gas Chromatography-Mass Spectrometry

An easy and rapid method is proposed for the determination of PCBs in automotive shredder residues, using gas chromatography combined with low resolution mass spectrometry (GC-MS). It is based on direct n-hexane solid-liquid extraction, subtracting background of the lineal aliphatic hydrocarbon interferences and integration of chromatographic peaks containing selected ion PCBs masses (256, 292 and 326 m/z), which are common in all PCBs formulations. Recoveries were in the 80% - 120% range;PCBs were detected and quantified in shredder samples from an automotive shredder industry, thus indicating the validity of the method.

蒙山名茶蒙顶甘露和蒙山毛峰特征香气成分的GC-MS测定与分析

采用同时蒸馏萃取法和气相色谱质谱（gas chromatography-mass spectrometry ， GC-MS）分析方法系统分析了蒙山茶原产地保护区域内蒙泉、后盐、陇西3个产地及保护区外合江产地蒙顶甘露和蒙山毛峰香气成分的特征与差异.结果表明，在鉴定的63种香气成分中，醇类和醛类占一半以上（59.16％～71.42％）.在蒙顶甘露和蒙山毛峰的香气组分中均以植醇、香叶醇、L-芳樟醇、壬醛和正庚醛这5个成分所占比例较高；保护区内蒙顶甘露和蒙山毛峰最重要的香气特征是植醇和壬醛含量显著高于保护区外，其总量分别占保护区中心内甘露的29.95％和毛峰的40％、保护区外甘露的0％和毛峰的11.27％，同时也是区别于其他名优绿茶的最主要的香气成分.由保护区中心向外延伸，蒙顶甘露和蒙山毛峰的香型有相似的变化规律：由保护区中心的板栗香型经中间的铃兰类鲜爽花香型逐渐过渡至边沿的蜜糖香、花香型.总体上，原产地保护区域内蒙顶甘露和蒙山毛峰的香气品质优于其他非原产地保护区域的蒙顶甘露和蒙山毛峰.

广西八角挥发油的提取研究与GC-MS分析

In this paper,the Illilium verum Hook.f.grow at mountain of Dayao of Jinxiu in Guangxi,Volatile oil was extracted by soxhet method and steam distillation.All the volatile oil was analyzed by GC-MS,the result show the ingredients and rate of product were change greatly,The major chemical constituents were trans-anethole,estragole and anisaldehyde etc.

藏药甘肃蚤缀脂溶性成分的GC-MS分析

研究藏药甘肃蚤缀的脂溶性成分,进一步揭示该药材的化学成分,为这一传统藏药资源的开发利用提供实验依据。采用95%乙醇回流提取甘肃蚤缀全草,滤液浓缩后用石油醚萃取,得到脂溶性部位,通过气相色谱-质谱联用技术分析其化学成分,结合计算机检索技术及美国国家标准技术研究所(NIST)化合物谱库检索进行鉴定,采用面积归一化法确定其相对含量。从甘肃蚤缀石油醚部位共分离鉴定出25个化合物,相对含量占总含量的91.31%,包括脂肪类、甾体、三萜及芳香化合物等。

基于GC-FID、HS-SPME-GC-MS与电子鼻技术评价不同水果发酵酒的香气特征

采用气相色谱-氢火焰离子化检测器法(gas chromatography with hydrogen flame ionization detection,GCFID)、顶空固相微萃取-气相色谱-质谱(headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry,HS-SPME-GC-MS)和电子鼻技术分析6种果酒中的挥发性成分,评价果酒风味轮廓特征的差异性。结果表明,GC-FID定量测定樱桃李酒,其中异戊醇、活性戊醇、β-苯乙醇含量最高,乙酸乙酯含量最低;木瓜酒中正丙醇、2,3-丁二醇、癸酸乙酯、乙酸含量最高; 3-羟基-2-丁酮含量在樱桃李酒中最高,山楂酒、甜橙酒中最少。HP-SPME-GC-MS鉴定果酒中挥发性物质94种,其中醇类23种,酯类43种,醛酮类10种,酸类8种,酚类2种,苯环类5种,烷烃类3种。山楂酒、菠萝酒、木瓜酒、甜橙酒、无花果酒和樱桃李酒中香气物质数量分别为34、44、45、45、33、47种。其中山楂酒、木瓜酒和无花果酒中未检出酚类、烷烃类物质。电子鼻对不同果酒香气的区分效果无重叠,W5S传感器区分果酒香气能力最强。比较而言,菠萝酒和樱桃李酒的口感更圆润,香气更愉悦,感官得分最高。

福建姜黄挥发油化学成分的HS-SPME-GC-MS分析

采用水蒸气蒸馏法提取福建姜黄挥发油,应用顶空固相微萃取进样结合气相色谱-串联质谱联用技术(HS-SPME-GC-MS)分析姜黄挥发油的化学成分。结果表明:姜黄挥发油含有量为7.2%(mL/g),从姜黄挥发油中共分出62个色谱峰,初步鉴定出了其中的51种化学成分,占总挥发油总量的98.41%。在鉴定的化合物中,主要为单萜类化合物和倍半萜类化合物,其中新发现一种主要成分为β-柏木烯,相对含量占比高达26.58%,这可作为福建姜黄挥发油的特征成分和主要品质指标。本研究结果将为福建姜黄植物药材的品质评价提供科学依据。

GC-MS法测定黄酒和食用酒精中的氨基甲酸乙酯

建立应用气相色谱-质谱联用法(gas chromatography-mass spectrometry,GC-MS)快速测定黄酒和食用酒精中氨基甲酸乙酯(ethylcarbamate,EC)的分析方法。以黄酒和食用酒精为研究对象,样品经过碱性硅藻土固相萃取柱净化、浓缩后,用GC-MS进行测定,同位素内标法定量。氨基甲酸乙酯在10~600μg/L线性关系良好,相关系数r^2=0.999 3。加标水平为5、100、250μg/kg 3个浓度条件下,在黄酒中的加标回收率为81.2%~89.5%,每个加标水平测定6次的相对标准偏差(RSD)为3.7%~5.0%;在食用酒精中的加标回收率为91.2%~99.4%,每个加标水平测定6次的RSD为3.1%~4.1%。方法的检出限为1.0μg/kg,方法的定量限为3.0μg/kg。该方法定量准确、操作简便、灵敏度高,适用于黄酒和食用酒精中氨基甲酸乙酯的测定。

Determination of Aromatic Components of Rosa davurica Pall. by Headspace Solid Phase Microextraction Combined with GC-MS

[Objectives] To determine the aromatic components of Rosa davurica Pall. [Methods] 42 kinds of aromatic components were identified from the flowers of R. davurica by headspace solid phase microextraction( HS-SPME) combined with gas chromatography-mass spectrometry( GC-MS). The main compounds were alcohols( 54. 88%) and aldehydes( 19. 55%). [Results] The top five components with the highest relative content were phenylethyl alcohol( 12. 69%),geraniol( 9. 85%),citronellol( 8. 80%),nerol( 7. 84%) and 2-n-pentylfuran( 7. 45%). [Conclusions] Headspace solid phase microextraction( HS-SPME) combined with gas chromatography-mass spectrometry( GC-MS) can provide basis for further development and utilization of R. davurica.

Studies on the Components of Essential Oil of <i>Zanthoxylum Armatum</i>by Gc-Ms

The essential oil of Zanthoxylum armatum was extracted through hydro distillation and analyzed by GC-MS. Hydrocarbon fraction (17.35%) of the oil was much lower and oxygenated compounds comprised fairly high portion of essential oil (39.21%). Percentages of monoterpenes and sesquiterpenes found were 47.33% and 10.83% respectively. Oxygenated monoterpenes comprised major profile of chromatogram of essential oil of Zanthoxylum armatum i.e. 37.23% where as monoterpene hydrocarbons were 10.09%. Alcoholic percentage was much higher i.e. 26.76% and 15-hexadecanoloide (6.58%) the only cyclic ester was found in relatively high percentage.