Send to

Choose Destination
See comment in PubMed Commons below
J Chromatogr A. 2013 Mar 8;1280:23-34. doi: 10.1016/j.chroma.2012.12.070. Epub 2013 Jan 9.

Least squares spectral resolution of liquid chromatography-mass spectrometry data of glycerophospholipids.

Author information

Department of Chemistry, University of Bergen, P.O. Box 7803, N-5020 Bergen, Norway.


Liquid chromatography-mass spectrometry represents a powerful tool for the analysis of intact glycerophospholipids (GPLs), but manual data interpretation may be a bottleneck in these analyses. The present paper proposes a least square regression approach for the automated characterization and deconvolution of the main GPLs species, i.e., phosphatidylcholine and phosphatidylethanolamine analyzed by class-specific scanning methods such as precursor ion scanning and neutral loss scanning, respectively. The algorithm is based on least squares resolution of spectra and chromatograms from theoretically calculated mass spectra, and eliminates the need for isotope correction. Results from the application of the methodology on reference compounds and extracts of cod brain and mouse brain are presented.

[Indexed for MEDLINE]
PubMed Commons home

PubMed Commons

How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for Elsevier Science
    Loading ...
    Support Center