Database of structures and their gas chromatography retention indices, tagged with individual search windows

Experimental calibration methods described earlier allowed the salvage of gas chromatography retention indices from diverse literature sources; these ''pseudo-Sadtler'' retention indices were paired with searchable structures (carbon connection tables) in a ISIS/Base database called PSEUDO-SADTLER. This database has the data fields: structure, name, synonyms, Chemical Abstracts Service number, retention index, average molecular mass and formula. The retention indices were assigned search windows covering 95% of their expected normal statistical distribution. The database was compacted from a starting point of 3450 entries to 3195 after the elimination of entries that were duplicated or obviously false.