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Lipids Mass Spectral Database

Lipids Mass Spectral Database
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by Luigi Mondello, July 2016

Lipids are one of the major constituents of food and they have an essential role in human diet, metabolism, physiological and pathological processes. Many lipids compounds present very similar mass spectra, therefore mass spectra supported by chromatographic is fundamental for correct compound identification in the research field. The Lipids Mass Spectral Database gives significant support for peak assignment in complex mixtures making it a valuable tool in many research areas, such as food analysis, clinical and medical applications.

The Lipids Mass Spectral Database contains 430 GC mass spectra registered from a pure standard accompanied by CAS number, common name, systematic name, molecular weight, compound formula, chemical class, and suppliers of the standards. Also provided is over 1,400 Linear Retention Index (LRI) values for the 430 lipid-like molecules, experimentally calculated for each standard under repeatable chromatographic conditions and using three different stationary phases, namely SLB-5ms, Equity-1, and Supelcowax-10 (Supelco). Furthermore, LRI were calculated not only on three stationary phases but also using different reference mixture, namely alkanes, fatty acid methyl esters (FAMEs) and fatty acid ethyl esters (FAEEs). The 430 lipid-like molecules are categorized into 11 classes of lipids with counts for each class as follows:

  • Alkanes: 34
  • Fatty Alcohols: 24
  • Fatty aldehydes: 48
  • Fatty acid ethyl esters: 27
  • Fatty acid methyl esters: 199
  • Fatty acid trimethyl esters: 14
  • Wax monoesters: 64
  • Isoprenoids: 2
  • Quinones and hydroquinones: 3
  • Sterol trimethylsilyl esters: 12
  • Sterols: 3

Supported Formats

Compatible with:

Agilent ChemStation/MassHunter/OpenLab (.L), NIST MS Search, PerkinElmer TurboMass, Thermo Xcalibur/TraceFinder/Chromeleon/Compound Discoverer, Waters MassLynx, ACD/Labs ACD/Spectrus, Bruker MS Workstation, Chromatec Analytic, Leco ChromaTOF, JEOL msFineAnalysis, Scion MS Workstation (does not include Shimadzu)

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.

Lipids Mass Spectral Database
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