Abstract

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.

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