Mass Spectra of Flavors and Fragances of Natural and Synthetic Compounds

A Powerful Tool for Advanced Component Identification in Complex Mixtures Essential oils are mixtures consisting of monoterpene and sesquiterpene hydrocarbons, 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 fragmentation patterns and rearrangements after ionization.

Hence, MS identification of these compounds should always be accompanied by retention time information that may support the 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), 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 1.3 contains 1831 mass spectra, LRI retention data, and searchable chemical structures of compounds of interest for the flavors and fragrances industry.

Prepared by the Prof. Luigi Mondello under rigorous measurement conditions, the mass spectral library contains compounds central to flavor and fragrance research.

Contents:*1831 compounds for flavor and fragrance research* Each record contains the mass spectrum, searchable structure, chemical information, and LRI retention data* Records indexed by name, molecular weight, and retention time.*Five formats: 1) NIST MS Search format (compatible with most manufacturer's software), 2) Chemstation, 3) MassLynx, 4) Spectral-ID, and 5)TurboMass* Spectra not in NIST or Wiley Registry = 100 * Compounds not in NIST = 28 * Compounds not in Wiley Registry = 33 Works the Way You Do* Easy installation* Compatible with most manufacturer instruments, including Agilent, Bruker, JEOL, Leco, PerkinElmer, Thermo (XCalibur and Spectral ID), Varian, and Waters.* Includes NIST and native manufacturer formats Important Format Note: Shimadzu format is available only from Shimadzu.

For further information go to Shimadzu (English) or Shimadzu (Japanese )