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Wiley FFNSC Library - Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition

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Wiley: Flavors and Fragrances of Natural and Synthetic Compounds (FFNSC) Mass Spectral Library
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Description

(September 2015 - release)

by Prof Luigi Mondello

A Powerful Tool for Advanced Component Identification in Complex Mixtures

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 Specs

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

Statistics:

Version: 3.0 2.0 1.3
# spectra: 3462 3000 1831

Coverage includes the most important flavors and fragrances compounds.

Applications: Industrial R&D and Quality Assurance: a high quality collection of natural and synthetic compounds for the flavors and fragrances industry critical for quality assurance, quality control, flavors and fragrance R&D, and competitive intelligence.

Contents

  • Each record contains the mass spectrum, searchable structure, chemical information, and LRI retention data. Records indexed by name, molecular weight, and retention time.
  • Highly controlled: Spectra and LRI's measured on a single instrument (Shimadzu GCMS-QP2010 series with both SLB-5MS and Supelcowax-10 columns) in controlled conditions using quality pure samples sourced from leading suppliers and manufacturers. (Other larger quality libraries, like NIST, are often acquired from different sources with different instruments, and the NIST retention index library is obtained from the open literature.)
  • Formats: NIST MS Search (compatible with most instruments, including Thermo Xcalibur, JEOL, Leco, ...), Agilent Chemstation/MassHunter, PerkinElmer TurboMass, ThermoFisher Spectral ID, Waters MassLynx, and ACD Labs MS Manager. (Note: the Shimadzu format is not included--this is only available from Shimadzu.)
  • One Disc.
  • The FFNSC library is recommended for customers needing mass spectra and LRI data for flavors and fragrances acquired under highly controlled conditions.

About the author

Prof. Luigi Mondello is a leading figure in flavors and fragrances research, and is editor of the Journal of Separation Science and of Flavour and Fragrance Journal, both published by John Wiley & Sons and serves as a reviewer for 19 different Journals in the field of Analytical Chemistry and Food Chemistry.

Prof. Dr. Luigi Mondello is Professor at the Dipartimento Farmaco-chimico of the University of Messina, Italy. He received a degree in Chemistry from the University of Messina in 1991. Prof. Mondello teaches the course of Analytical Chemistry and of Food Chemistry at the School of Pharmacy of the University of Messina, and the course of Food Chemistry at the Campus Biomedico in Rome. He is the author of about 100 scientific papers, 13 book chapters, 2 reviews co-editor of a book on Multidimensional Chromatography (Wiley), and he has been chairman and invited lecturer in national and international congresses and meetings. His research interests include Chromatography techniques (HRGC, HPLC, HRGC/MS, HPLC/MS, OPLC) and the development of coupled techniques such as LC-GC-MS, GC-GC, Orthogonal GC, LC-LC and their applications in the study of natural complex matrices. Prof. Mondello has been member of the organizing committees of national and international meetings and he is permanent member of the scientific committee of the International Symposium on Capillary Chromatography held in Riva del Garda, Chairmen of the 35th International Symposium on Essential Oils, member of the Committee of the Italian Separation Science Group of the Italian Chemical Society, member of the advisory board of Journal of Separation Science and editor of Flavour and Fragrance Journal.

ISBN

ISBN: 3.0: 978-1-119-06984-3; 3.0 upgrade: 978-1-119-06964-5 2.0: 978-1-1181-4583-8; 2.0 upgrade from 1.3: 978-1-118-14584-5; old 1.3 version: 978-0-470-42521-3

Mass spectra of Flavors and Fragrances of Natural and Synthetic Compounds (FFNSC) 3rd Edition
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