title: Development of a method for analysis of Iranian damask rose oil: combination of gas chromatography-mass spectrometry with Chemometric techniques.
abstract: Gas chromatography-mass spectrometry (GC-MS) combined with Chemometric resolution techniques were proposed as a method for the analysis of volatile components of Iranian damask rose oil. The essential oil of damask rose was extracted using hydrodistillation method and analyzed with GC-MS in optimized conditions. A total of 70 components were identified using similarity searches between mass spectra and MS database. This number was extended to 95 components with concentrations higher than 0.01% accounting for 94.75% of the total relative content using Chemometric techniques. For the first time in this work, an approach based upon subspace comparison is used for determination of the chemical rank of GC-MS data. The peak clusters were resolved using heuristic evolving latent projection (HELP) and multivariate curve resolution-alternating least square (MCR-ALS) by applying proper constraints, and the combination of both methods for some cases. It is concluded that a thorough analysis of the complex mixtures such as Iranian damask rose requires sophisticated GC-MS coupled with the Chemometric techniques.
authors.affiliation: Department of Chemistry, Sharif University of Technology, P.O. Box, 11155-9516 Tehran, Iran. jalali@sharif.edu
authors.forename: Mehdi
authors.initials: M
authors.lastname: Jalali-Heravi
authors.forename: Hadi
authors.initials: H
authors.lastname: Parastar
authors.forename: Hassan
authors.initials: H
authors.lastname: Sereshti