Lipophilic and Polar Extracts Analysis by HRESIMS and HRESIMSMS

Extracts were dissolved in acetonitrile or aqueous acetonitrile (1:1) for lipophilic and polar extracts respectively, to a final concentration of 0.5 mg/mL. The samples were filtered through a 0.2 µm filter prior to analysis. A 5 µL aliquot was injected onto a diphenol column (Fortis, 150 × 2.1 mm, 1.7 µm) and eluted using a mixture of acetonitrile/water (1% formic acid) at a gradient of 5% MeCN to 100% over 12 min, with the final solvent concentration held for 3 min. Solvent was delivered at a constant flow rate of 400 µL/min. HRESIMS and HRESIMSMS data were obtained using an Agilent 6540 Q-Tof mass spectrometer. Untargeted MSMS data was obtained using a collision energy of 10, 20 and 40 eV in positive mode. These data were then imported into the GNPS website for further analysis [41 (link)].