Development of a method for analysis of Iranian damask rose oil: combination of gas chromatography-mass spectrometry with Chemometric techniques |
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Authors: | Jalali-Heravi Mehdi Parastar Hadi Sereshti Hassan |
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Institution: | a Department of Chemistry, Sharif University of Technology, P.O. Box, 11155-9516 Tehran, Iran b Department of Chemistry, Faculty of Science, University of Tehran, Tehran, Iran |
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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. |
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Keywords: | Gas chromatography-mass spectrometry Chemometric resolution techniques Damask rose Essential oils Subspace comparison |
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