Gas Chromatographic Retention Data
This release includes retention data and related information abstracted
from journal articles, technical reports and internet sources that were
published over the period 1958-2003.
The following types of retention indices are represented:
where tn and tn+1 are retention times of the
reference n-alkane hydrocarbons eluting immediately before and after
chemical compound “X”; tx is the retention
time of compound “X”. Lee retention indices are determined
by analogy with Kovats indices for the following reference compounds:
benzene, naphthalene, phenanthrene, chrysene and picene.
Retention information is presented in the following fields:
- Chemical compounds are represented by
- Chemical name
- Chemical structure ('MOL-file' format)
- InChI (IUPAC International Chemical Identifier)
- CAS registry number, where available (or retention data base unique number)
- Retention data value.
- Dimensions of retention data (may be Kovats index, Lee index,
isothermal and non-isothermal data)
- Column specification (when available):
- type of column (packed, capillary)
- stationary phase specification
- column dimensions
- stationary phase thickness (capillary column)
- characterization of solid support (packed column)
- carrier gas
- Description of temperature conditions:
- isothermal (single temperature)
- linear temperature program (temperature-program description)
- complex temperature program (all segment are specified)
- Literature source: includes full bibliographic citation
The present release contains gas-chromatographic information only for
non-polar and slightly polar stationary phases:
- 100% methyl silicone (DB-1, OV-101, SE-30, CP-Sil 5CB, HP-1 etc).
- 5% diphenyl, 95% methylpolysiloxane stationary phase (DB-5, HP-5,
Ultra-2, RTX-5, CP Sil 8 CB)
- Squalane, Apiezones, Apolane
A list of stationary phases in the database can be found
- Kovats, E., Helv. Chim. Acta, 1958,
- Van Den Dool, H., Kratz, P.D.,
J. Chromatography, 1963, 11, 463-471.
- Lee, M.L., Vassilaros, D.L., White, C.M.,
Novotny, M., Anal. Chem., 1979, 51(6), 768-773.