The NIST GC Method and Retention Index Database and its accompanying program, nistmsri.exe, provide retention index data and gas chromatographic conditions for 82,868 compounds on packed and open tubular columns using polar and non-polar stationary phases.
The database contains a total of 387,463 citations (retention index values and GC methods). Each citation contains the complete bibliographical information and title of the research paper it was taken from. Details of the gas chromatographic method used to obtain the retention index are also provided. If a compound is in the NIST/EPA/NIH Mass Spectral Database (NIST14), it is noted as such in the text information provided about the compound. There are 56,216 such compounds.
Many of the compounds are indexed by multiple names (Synonyms). All the compounds are indexed by elemental composition (Formula), nominal mass (MW), Chemical Abstracts Services registry number (CAS#), and a sequence number corresponding to their position in the NIST Retention Index Database (ID#).
In addition, estimated non-polar retention index (n-alkane series) values, based on structure, are provided for each compound.
Data can be retrieved through an incremental name search, a CAS RN search, a MW search, a formula search, or a structure similarity search. The search structure may be entered from a mol/SDfile or from the Windows clipboard. In addition, the database can be searched by multiple variables that can be used to constrain the above-mentioned searches.
The search results for individual hits can also be constrained according to column type (packed or capillary), stationary-phase type (polar or non-polar), GC temperature conditions (isothermal or temperature programmed), and/or retention index type (Lee or Kovats).
Requires Microsoft Windows XP, 7, 8, 8.1