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Development of a method for analysis of Iranian damask rose oil: combination of gas chromatography-mass spectrometry with Chemometric techniques

Jalali Heravi, M ; Sharif University of Technology | 2008

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  1. Type of Document: Article
  2. DOI: 10.1016/j.aca.2008.05.078
  3. Publisher: 2008
  4. Abstract:
  5. 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. © 2008 Elsevier B.V. All rights reserved
  6. Keywords:
  7. Chemicals ; Chromatographic analysis ; Chromatography ; Column chromatography ; Curve fitting ; Essential oils ; Gas chromatography ; High performance liquid chromatography ; Least squares approximations ; Mass spectrometers ; Numerical methods ; Oils and fats ; Spectrometers ; Spectrometry ; Spectrum analysis ; Least squares (mapped) ; Chemical rank ; Chemometric resolution ; Chemometric techniques ; Complex mixtures ; Gas chromatography/mass spectrometry (GC/MS) ; Heuristic evolving latent projections ; Hydrodistillation (HD) ; Mass spectrum (MS) ; MCR ALS ; Multivariate curve resolution (MCR) ; Optimized conditions ; Peak clusters ; Rose oil ; Similarity searches ; Volatile components ; Heuristic methods ; Analytic method ; Chemical analysis ; Chemometric analysis ; Distillation ; Mass fragmentography ; Mass spectrometry ; Phase separation ; Priority journal ; Rose ; Separation technique ; Damask rose
  8. Source: Analytica Chimica Acta ; Volume 623, Issue 1 , 8 August , 2008 , Pages 11-21 ; 00032670 (ISSN)
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S0003267008010465