Dr Maria Luisa Serralheiro
This data reports to LC-HRMS/MS analysis of aqueous extracts from a plant Verbascum betonicifolium from Algeria. From these data, chromatograms were established and from the mass analysis and mass fragmentation several proposal for the compounds present in this aqueous extract were done. The data to be interpreted the program from Bruker, DataAnalysis TM must be used. The data was obtained using Ultra High Performance Liquid Chromatography (UHPLC), and the eluted compounds from the chromatographic column were introduced into the electrospray ion source of a Quadrupole Time-of-Flight mass spectrometer (QToF Impact II, Bruker). The data was acquired using the Data Analysis 4.4™ software, from Bruker. The mass was acquired using: ion spray voltage, –3.5 kV; nebulizer gas (N2), 2.0 bars; dry gas (N2), 4.0 L.min−1; dry heater, 200 °C; collision cell energy, 5.0 eV; end plate offset, 500 V. Data acquisition was performed in full scan mode in the range of m/z 50–1500, acquisition rate of 1 Hz. The Auto MS/MS mode was used to confirm the fragment ions. The liquid chromatography mass spectrometry (LC-MS) acquisition data were processed using the Data Analysis 4.4™ software, to extract the mass spectral features from samples raw data. Chromatograms with the retention times for several compounds leaving the chromatographic column, with different exact masses, could be obtained and each mass peak fragmentation could be searched for.