Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds

Book excerpt: Advanced Component Identification in Complex Mixtures Essential oils are mixtures consisting of monoterpene andsesquiterpene hydrocarbons, their oxygenated derivatives, andaliphatic oxygenated compounds. The difficulties that arise in theGC-MS peak identification of these complex samples is due to thefact that many terpenes have identical mass spectra. This is aconsequence of similarities both in the initial molecule, or in thefragmentation patterns and rearrangements after ionization. Hence,MS identification of these compounds should always be accompaniedby retention time information that may support the MS librarysearch results. This innovative MS library for natural and synthetic products(essential oils, perfumes, etc.) makes the identification ofunknown compounds in complex mixtures easier, faster and morereliable. The use of chromatographic information, such as LinearRetention Index (LRI), can be used to filter MS results, enablingthe more reliable peak assignment of components in complexmixtures. Mass spectra, relative to standard and well-known simple matrixcomponents, were obtained and recorded through GC-MSseparation/identification. Furthermore, traditional informationrelative to each component (CAS number, common name, CAS name,molecular weight, compound formula, chemical class) plus linearretention index values are entered. Flavors and Fragrances of Natural and Synthetic Compounds,3rd edition contains >3000 mass spectra, LRI retentiondata, calculated Kovats RI, and searchable chemical structures ofcompounds of interest for the flavors and fragrances industry.Prepared by the Prof. Luigi Mondello under rigorous measurementconditions, the mass spectral library contains compounds central toflavor and fragrance research. What's on the disc: 1. FFNSC 3 in MS Search (Agilent, Bruker, Leco, JEOL, , Agilent .L(Chemstation, MassHunter), PerkinElmer Turbomass, Waters MassLynx,ACD ND9, and Cromatoplus 2. 30-Day trial version of Cromatoplus software