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LIPIDS Mass Spectral Database

LIPIDS Mass Spectral Database

Luigi Mondello

ISBN: 978-1-119-28938-8 July 2016


Lipids are one of the major constituents of food and they play an essential role in human diet, metabolism, and physiological and pathological processes. Many lipid compounds present very similar mass spectra. Therefore, mass spectra supported by chromatographic data 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 and 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 mixtures, 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:

  1. Alkanes: 34
  2. Fatty alcohols: 24
  3. Fatty aldehydes: 48
  4. Fatty acid ethyl esters: 27
  5. Fatty acid methyl esters: 199
  6. Fatty acid trimethyl esters: 14
  7. Wax monoesters: 64
  8. Isoprenoids: 2
  9. Quinones and hydroquinones: 3
  10. Sterol trimethylsilyl esters: 12
  11. Sterols: 3

Compound coverage can be searched at