Application of GC/EIMS in Combination with Semi-Empirical Calculations for Identification and Investigation of Some Volatile Components in Basil Essential Oil

Mamoun S. M. Abd El-Kareem, Mohamed Abd El Fattah Rabbih, Ezzat Taha Mohamed Selim, Elsherbiny Abd El-monem Elsherbiny, Ayman Yasen El-Khateeb
2016 International Journal of Analytical Mass Spectrometry and Chromatography  
Volatile components in the extracts of basil leaves (Ocimum basilicum L.) were identified by gas chromatography/mass spectrometry (GC/MS) with electron ionization (EI) mode. The major volatile components of basil under investigation are α-pinene, sabinene, β-pinene, d-limonene, eucalyptol, l-linalool and estragole. Electron ionization mass spectra of these compounds have been obtained and investigated. Furthermore, the semi-empirical MNDO [Modified Neglect of Diatomic Overlap] method was used
more » ... ] method was used to calculate the thermochemical data for the structural properties of these compounds.
doi:10.4236/ijamsc.2016.41002 fatcat:53tlxj3y7rb4lcexbtwr5el3i4