Analysis of lipid composition and characterization of acyl steryl glycosides in rose petals by using nontargeted LC/MS

Exploration of New Lipid Nutrients and Their Characterization in Herbal Teas Using Non-Targeted Liquid Chromatography–Mass Spectrometry

“…A linear gradient flow rate was maintained as follows: 0–1 min 30% of B, 35% of C; 1–14 min 80% of B, 10% of C; 14–27 min 85% of B, 10% of C; and 3 min for column equilibration to the initial condition. Lipidomic analysis using mass spectrometry (MS) was carried out in both negative and positive ionization modes with data-dependent acquisition conditions and the maintenance of identical parameters that were previously reported in our laboratory [ 36 , 37 ]. The MS conditions for the negative ionization mode were as follows: negative electrospray ion source voltage was 3.0 kV; nitrogen sheath gas flow rate was 50 arbitrary units; nitrogen auxiliary gas flow rate was 5 arbitrary units; and full-scan MS was set at m / z 160–1900 in the Fourier-transform mode with the resolving power of 60,000.…”

“…High-resolution MS 1 and MS 2 mass spectra were obtained using collision-induced dissociation at a collision energy of 40 eV. The MS parameters for the positive mode of ionization were identical to those reported in previous studies [ 36 , 37 ]. The raw data acquired using MS were processed using MS DIAL (version 4.9) and Xcalibur 2.2 software, for the annotation, alignment, peak detection, and identification of the different lipid molecular species.…”

“…Foods 2024, 13, x FOR PEER REVIEW 4 of 14 ionization were identical to those reported in previous studies [36,37]. The raw data acquired using MS were processed using MS DIAL (version 4.9) and Xcalibur 2.2 software, for the annotation, alignment, peak detection, and identification of the different lipid molecular species.…”