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J Chromatogr A

Title:		Calibration of mass selective detector in non-target analysis of volatile organic compounds in the air
Author(s):		Arh G; Klasinc L; Veber M; Pompe M;
Address:		"Faculty of Chemistry and Chemical Technology, University of Ljubljana, Askerceva 5, 1000 Ljubljana, Slovenia. gregor.arh@fkkt.uni-lj.si"
Journal Title:		J Chromatogr A
Year:		2011
Volume:		20110119
Issue:		11
Page Number:		1538 - 1543
DOI:		10.1016/j.chroma.2011.01.037
ISSN/ISBN:		1873-3778 (Electronic) 0021-9673 (Linking)
Abstract:		"Volatile organic compounds (VOCs) play an important role in the chemistry of the atmosphere and in biogeochemistry. They contribute to the oxidative capacity of the atmosphere, particle and air pollutants, as well as to the production of greenhouse gases (for instance ozone). Among analytical techniques for their determination in the atmosphere gas chromatography coupled with mass spectrometry (GC-MS) offers several advantages. However, for an accurate quantification calibration with standard substances is necessary. A quantitative structure-property relationship (QSPR) model for the prediction of MS response factors was developed on basis of our experimental measurements for the quantification of ozone precursors present in the atmosphere. A linear correlation between chemical structures and response factors was established by using a 7-parameter MLR model. The average error in the prediction of response factors was calculated by cross-validation procedure and was below 20%, which is sufficient for the determination of VOCs in the air. The proposed procedure is time consuming so it is more suited for the quantification of tentatively identified organic compounds during the reprocessing of MS chromatograms in cases when the original sample is no longer available"
Keywords:		"Air/*analysis Chromatography, Gas/*methods Gas Chromatography-Mass Spectrometry Volatile Organic Compounds/*analysis;"
Notes:		"MedlineArh, Gregor Klasinc, Leo Veber, Marjan Pompe, Matevz eng Research Support, Non-U.S. Gov't Netherlands 2011/02/09 J Chromatogr A. 2011 Mar 18; 1218(11):1538-43. doi: 10.1016/j.chroma.2011.01.037. Epub 2011 Jan 19"