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Development of Database on Gas-Chromatographic Retention Properties of Organic Compounds

Published

Author(s)

Valeri I. Babushok, Peter J. Linstrom, J J. Reed, I G. Zenkevich, Robert L. Brown, William G. Mallard, Stephen E. Stein

Abstract

A comprehensive database of gas chromatographic properties of chemical compounds has been developed using multiple literature sources. The collection of retention data for non-polar and polar stationary phases currently contains 292,924 data records for 42,888 compounds. The collection includes data for Kovats indices, linear indices, Lee indices, retention times and retention volumes. The first release of this database is available with NIST/EPA/NIH Mass Spectral Database (June, 2005) and through the internet (NIST Chemistry WebBook). The paper describes the database and the process by which it has been compiled. The format of data presentation and the quality control procedures are described. Data sources of gas chromatographic retention data are also discussed.
Citation
Journal of Chromatography A
Volume
1157
Issue
1-2

Keywords

database, gas chromatography, Kovats indices, retention indices

Citation

Babushok, V. , Linstrom, P. , Reed, J. , Zenkevich, I. , Brown, R. , Mallard, W. and Stein, S. (2007), Development of Database on Gas-Chromatographic Retention Properties of Organic Compounds, Journal of Chromatography A, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=832002 (Accessed October 19, 2021)
Created July 2, 2007, Updated February 17, 2017