4.2 Article

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

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CHROMATOGRAPHIA
卷 75, 期 11-12, 页码 685-692

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SPRINGER HEIDELBERG
DOI: 10.1007/s10337-012-2231-7

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Gas chromatography; Mass spectrometry; Kovats indices; Retention indices; Linear retention indices; Identification; Data filtering; Ylang-ylang essential oil

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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 beta-caryophyllene, germacrene D, benzyl benzoate, linalool, geranyl acetate, alpha-(E,E)-farnesene and isobornyl acetate.

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