Advanced Flavor and Fragrance Component Identification in Complex Mixtures

Essential oils are mixtures consisting of monoterpene and sesquiterpene monocarbons, their oxygenated derivatives, and aliphatic oxygenated compounds. The difficulties that arise in the GC-MS peak identification of these complex samples is due to the fact that many terpenes have identical mass spectra. This is a consequence of similarities both in the initial molecule, or in the fragmentations and rearrangements after ionization. Hence, MS identification of these compounds should always be accompanied by retention time information that may support MS library search results.
This innovative MS library for natural and synthetic products (essential oils, perfumes, etc.) makes the identification of unknown compounds in complex mixtures easier, faster, and more reliable. The use of chromatographic information, such as Linear Retention Index (LRI) data, can be used to filter MS results, enabling the more reliable peak assignment of components in complex mixtures.
Mass spectra, relative to standard and well-known simple matrix components, were obtained and recorded through GC-MS separation/identification. Furthermore, traditional information relative to each component (CAS number, common name, CAS name, molecular weight, compound formula, chemical class) plus linear retention index values are entered.
Flavors and Fragrances of Natural and Synthetic Compounds, 3rd edition contains >3000 mass spectra, LRI retention data, calculated kovats RI, and searchable chemical structures of compounds of interest for the flavors and fragrances industry. Prepared by Prof. Luigi Mondello under rigorous measurement conditions, the mass spectral library contains compounds central to flavor and fragrance research.

Software Compatibility:
Bruker, Leco, JEOL, Agilent .L (Chemstation, MassHunter), PerkinElmer TurboMass, Waters MassLynx, ACD ND9, and Cromatoplus (30-day trial version)

Software Specifications:
Spectral Records: 3,462
Chemical Structures: 3,462
RI1 = measured on SLB-5MS (Hydro):3,462
RI2 = measured on SLB-5MS (FAMEs): 2,516
RI3 = measured on Supelcowax-10 (FAMEs): 1,466 (same records as RI4)
RI4 = measured on Supelcowax-10 (FAEEs): 1,466 (same records as RI3)
RI5 = measured on Equity-1 (Hydro): 646

Compound coverage can be searched at www.compoundsearch.com.