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Use of Large Retention Index Database for Filtering of GC–MS False Positive Identifications of Compounds

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Abstract

The use of the large retention index database for identification and filtering of false positive hits in GC–MS analysis of the ylang-ylang essential oil is illustrated. Differences between experimental retention indices and database values of retention indices of candidate compounds provide additional constraints on the list of candidates for a target compound. Over 100 components of ylang-ylang essential oil (total grade) were identified. The main components, with concentrations more than 4 %, are β-caryophyllene, germacrene D, benzyl benzoate, linalool, geranyl acetate, α-(E,E)-farnesene and isobornyl acetate.

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Acknowledgments

We would like to thank W.G. Mallard for useful comments and discussions, which helped us to improve the manuscript.

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Authors and Affiliations

  1. National Institute of Standards and Technology, Gaithersburg, MD, 20899, USA

    V. I. Babushok & N. R. Andriamaharavo

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  1. V. I. Babushok
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  2. N. R. Andriamaharavo
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Correspondence to V. I. Babushok.

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Babushok, V.I., Andriamaharavo, N.R. Use of Large Retention Index Database for Filtering of GC–MS False Positive Identifications of Compounds. Chromatographia 75, 685–692 (2012). https://doi.org/10.1007/s10337-012-2231-7

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  • DOI: https://doi.org/10.1007/s10337-012-2231-7

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