Abstract: In order to study chromatographic retention time of volatile components in Trollius chinensis Bunge,molecular valence connectivity index (^mX_tV) and atom-type electro-topological state index (E_k),were used to characterize the structures of 38 volatile compounds from Trollius chinensis Bunge.The quantitative structure-retention relationship model using ^mX_tV and E_k was developed to predict chromatographic retention time of volatile components in Trollius chinensis Bunge.The correlation coefficient (R) of the model is 0.987.The robustness of the regression model was validated by Jackknife method,and the results showed that the R lies between 0.985 and 0.989.The present study demonstrates that the model is highly reliable and has favorable predictive capacity,and can effectively elucidate the essential factor that affecting the chromatographic retention time of volatile compounds in Trollius chinensis Bunge.

Key words: volatile component, Trollius chinensis Bunge, retention time, molecular valence connectivity index, atom-type electro-topological state index, quantitative structure-retention relationship