Research Groups

Accurate quantification of PUFA lipids by high-resolution FT MS/MS

Molecular species of glycerophospholipids can be identified by MS/MS. In negative ion mode, they produce abundant carboxylate fragments of their fatty acid moieties. These anions can be also used for species quantification, but it has come to the attention of the lipidomics community that the abundances of lipids with polyunsaturated (PUFA) fatty acid moieties are strongly underestimated. We are now developing an inclusive mathematical model and software that supports accurate shotgun quantification of PUFA lipids at any experiment conditions, including variable collision energies.

Figure: Computational 3D model representing fragment intensities of symmetric PC in HCD FT MS/MS (A) and its validation shown for PC 18:3(9Z)/18:3(9Z).


  • HongKee Moon
    Scientific computing facility
  • Andre Nadler
  • Michael Groessl
    Inselspital, Bern University Hospital
  • Markus Kellmann
    Thermo Fisher Scientific, Bremen

Dr. Kai Schuhmann