Wiley Announces Three New Mass Spectral Libraries in Foods, Flavors, Fragrances
November, 2011. Hoboken, NJ – John Wiley & Sons, Inc. announces the availability of three new mass spectral libraries for food, flavor, fragrnace, and environmental application.
Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 2nd Edition
Mass Spectra of Pesticides with Retention Indices
FAMEs Fatty Acid Methyl Esters: Mass Spectral Database
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.
Flavors and Fragrances of Natural and Synthetic Compounds, 2nd 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 the Prof. Luigi Mondello under rigorous measurement conditions, the mass spectral library contains compounds central to flavor and fragrance research.
Mass Spectra of Pesticides contains 925 pesticides and 33 saturated hydrocarbons (C7-40) spectra with retention indices. All the spectra, registered with official CAS information, have been acquired from the injection of pure chemicals. All the retention indices reported have been verified with data reported in the specific literature, and tested for repeatability. The compounds had been tested three times during a six-month period.
The mass spectra and retention indices registered in the Mass Spectra of Pesticides library were obtained using the Shimadzu GCMS- QP2010 by the Mondello group of the University of Messina in Italy using the SLB-5ms.
Fatty acids are important compounds in food analysis, since they are sample-specific. They can be used as markers or their profile can be used as a fingerprint (e.g., bacteria fatty acids) or to reveal fraud (e.g., seed oil added to olive oil). In GC, fatty acids are analyzed after derivatization to methyl esters (FAMEs). FAME is a library of 240 spectra and structures of fatty acid methyl esters, including their Linear Retention Index and calculated Kovats Retention Index.
The database contains linear retention index data, registered using an alkane mixture on an apolar column and using also a FAMEs and a FAEEs (fatty acid ethyl esters) mixture on a polar one. The addition of the retention index data enables more reliable compound matching and identification of unknowns.
While other methods, such as LC-MSMS can be used, when using such a highly selective method technicians can only detect what they are looking for, while when performing broader TIC screening using GC/MS, no information is lost. Applications include building FAMEs profiles of target bacteria (e.g., Pseudomonas aeruginosa).
Researchers can verify whether the databases cover a compound of interest at Compound Search.
About the Author
Prof. Dr. Luigi Mondello is Full Professor of Analytical Chemistry 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 over 200 Scientific papers, 13 book chapters, 2 reviews, co-editor of a book on Multidimensional Chromatography (John Wiley & Sons), 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, GCxGC, LCxLC, LCxGC and their applications in the study of natural complex matrices
Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 2nd Edition, Mass Spectra of Pesticides with Retention Indices, and FAMEs Fatty Acid Methyl Esters: Mass Spectral Database have been tested and optimized to run on the current versions of most manufacturers’ software, including Agilent Chemstation, Waters MassLynx, Thermo Spectral ID, and PerkinElmer TurboMass. A simple web screen guides users through the quick installation.
Shimadzu formats of these databases are available directly from Shimadzu.
Founded in 1807, John Wiley & Sons, Inc. has been a valued source of information and understanding for more than 200 years, helping people around the world meet their needs and fulfill their aspirations. Since 1901, Wiley and its acquired companies have published the works of more than 450 Nobel laureates in all categories: Literature, Economics, Physiology/Medicine, Physics, Chemistry and Peace.
Wiley's core businesses include scientific, technical, medical and scholarly journals, encyclopedias, books, and online products and services; professional/trade publishes books, subscription products, training materials, and online applications and websites; and educational materials for undergraduate and graduate students and lifelong learners. Wiley's global headquarters are located in Hoboken, New Jersey, with operations in the U.S., Europe, Asia, Canada, and Australia. The Company's Web site can be accessed at www.wiley.com. The Company is listed on the New York Stock Exchange under the symbols JWa and JWb.