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J Am Soc Mass Spectrom

Title:		Gas chromatographic-ion trap mass spectrometric analysis of volatile organic compounds by ion-molecule reactions using the electron-deficient reagent ion CCl3(+)
Author(s):		Wang CZ; Su Y; Wang HY; Guo YL;
Address:		"Research Center for Health and Nutrition, Shanghai University of Traditional Chinese Medicine, 1200 Cailun Road, Shanghai, 201203, China"
Journal Title:		J Am Soc Mass Spectrom
Year:		2011
Volume:		20110706
Issue:		10
Page Number:		1839 - 1850
DOI:		10.1007/s13361-011-0193-x
ISSN/ISBN:		1879-1123 (Electronic) 1044-0305 (Linking)
Abstract:		"When using tetrachloromethane as the reagent gas in gas chromatography-ion trap mass spectrometry equipped with hybrid ionization source, the cation CCl(3)(+) was generated in high abundance and further gas-phase experiments showed that such an electron-deficient reagent ion CCl(3)(+) could undergo interesting ion-molecule reactions with various volatile organic compounds, which not only present some informative gas-phase reactions, but also facilitate qualitative analysis of diverse volatile compounds by providing unique mass spectral data that are characteristic of particular chemical structures. The ion-molecule reactions of the reagent ion CCl(3)(+) with different types of compounds were studied, and results showed that such reactions could give rise to structurally diagnostic ions, such as [M+CCl(3) - HCl](+) for aromatic hydrocarbons, [M - OH](+) for saturated cyclic ether, ketone, and alcoholic compounds, [M - H](+) ion for monoterpenes, M(.+) for sesquiterpenes, [M - CH(3)CO](+) for esters, as well as the further fragment ions. The mechanisms of ion-molecule reactions of aromatic hydrocarbons, aliphatic ketones and alcoholic compounds with the reagent ion CCl(3)(+) were investigated and proposed according to the information provided by MS/MS experiments and theoretical calculations. Then, this method was applied to study volatile organic compounds in Dendranthema indicum var. aromaticum and 20 compounds, including monoterpenes and their oxygen-containing derivatives, aromatic hydrocarbon and sesquiterpenes were identified using such ion-molecule reactions. This study offers a perspective and an alternative tool for the analysis and identification of various volatile compounds"
Keywords:		Carbon Tetrachloride/*chemistry Cations/chemistry Chrysanthemum/chemistry Gas Chromatography-Mass Spectrometry/*methods Monoterpenes/analysis/chemistry Plant Extracts/chemistry Volatile Organic Compounds/*analysis/chemistry;
Notes:		"MedlineWang, Cheng-Zhong Su, Yue Wang, Hao-Yang Guo, Yin-Long eng Research Support, Non-U.S. Gov't 2011/09/29 J Am Soc Mass Spectrom. 2011 Oct; 22(10):1839-50. doi: 10.1007/s13361-011-0193-x. Epub 2011 Jul 6"