Agilent 6530b qtof

The constituents of the studied extracts were separated on the on Gemini^® column (3 μm i.d. C18 with TMS endcapping, 110 Å, 100 × 2 mm) guarded with pre-column (Phenomenex Inc, Torrance, CA, USA) following chromatographic conditions previously described [59 (link)]. The separation was performed on Agilent 1200 Infinity HPLC (Agilent Technologies, Santa Clara, CA, USA), whereas detection was obtained on Agilent 6530B QTOF (Agilent Technologies, Santa Clara, CA, USA). 2 mass spectra/s were registered in a scan range 100–1700 m/z for MS and MS/MS, applying collision energy of 10 and 40 eV. The drying gas temperature and flow were set at 300 °C and 12 L/min, whereas the sheath gas temperature and flow were set at 325 °C and 12 L/min, respectively. The ion source operated in negative mode with 40 psig, capillary V (+): 4000 V, skimmer 65 V. Freely available mass spectra databases (MassBank, PubChem, HMDB, Metlin, MoNA) were used for tentative identification of compounds, which was also supported by fragmentation patterns published in scientific literature.

The phytochemical analysis of studied extracts was done by means of liquid chromatography coupled to mass spectrometry (LC-ESI-QTOF-MS/MS) on Agilent 1200 Infinity HPLC and Agilent 6530B QTOF (Agilent Technologies, Santa Clara, CA, USA) supported by high purity nitrogen generator (Parker Hannifin Corporation, Haverhill, MA, USA). The chromatographic conditions and spectroscopic parameters followed our previous paper [91 (link)]. Compounds identification was based on their fragmentation patterns and supported by comparison of obtained mass spectra with mass spectra available in Metlin database (https://metlin.scripps.edu, accessed on 15 April 2021), MassBank of North America (MoNA) database (https://mona.fiehnlab.ucdavis.edu/, accessed on 15 April 2021), Human Metabolome Database (HMDB) (https://hmdb.ca/, accessed on 15 April 2021), PubChem—an open chemistry database (https://pubchem.ncbi.nlm.nih.gov/, accessed on 15 April 2021) and literature data.