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Title: Practical retention index models of OV-101, DB-1, DB-5, and DB-Wax for flavor and fragrance compounds

Author
item Goodner, Kevin

Submitted to: Lebensmittel Wissenschaft und Technologie
Publication Type: Peer Reviewed Journal
Publication Acceptance Date: 7/16/2007
Publication Date: 4/30/2008
Citation: Goodner, K.L. 2008. Practical retention index models of OV-101, DB-1, DB-5, and DB-Wax for flavor and fragrance compounds. Lebensmittel Wissenschaft und Technologie. 41:951-958.

Interpretive Summary: High quality regression models of gas chromatographic retention indices were generated for four different column types. The models were generated using a second order equation including the cross product utilizing two easily obtained variables, boiling point and the log octanol-water coefficient. Additionally, a method for determining outlier data (the GOodner Outlier Determination (GOOD) method) is presented that is a combination of several outlier tests and is less prone to discarding legitimate data.

Technical Abstract: High quality regression models of gas chromatographic retention indices were generated for OV-101 (R=0.997), DB-1 (R=0.998), DB-5 (R=0.997), and DB-Wax (R=0.982) using 91, 57, 94, and 102 compounds respectively. The models were generated using a second order equation including the cross product utilizing two easily obtained variables, boiling point and the log octanol-water coefficient. Additionally, a method for determining outlier data (the GOodner Outlier Determination (GOOD) method) is presented that is a combination of several outlier tests and is less prone to discarding legitimate data.