Development of a database of gas chromatographic retention properties of organic compounds.
A comprehensive database of gas chromatographic retention properties of chemical compounds has been developed using multiple literature sources. The National Institute of Standards and Technology (NIST) database of retention data for non-polar and polar stationary phases currently contains 292,924 data records for 42,888 compounds. The database includes data for Kováts indices, linear indices, Lee indices, retention times and retention volumes. The first release of this database for non-polar stationary phases is available with NIST/US Environmental Protection Agency (EPA)/National Institutes of Health (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.
Babushok
V I
VI
National Institute of Standards and Technology, Gaithersburg, MD 20899, USA.
Linstrom
P J
PJ
Reed
J J
JJ
Zenkevich
I G
IG
Brown
R L
RL
Mallard
W G
WG
Stein
S E
SE
D002849:Chromatography, Gas / Q000379:methods*; D003628:Database Management Systems; D009930:Organic Chemicals / Q000737:chemistry*
D009930:Organic Chemicals