IR spectrum was acquired using a
JASCO 320-A spectrometer (JASCO International Co., Ltd., Easton, MD, USA). Normal and reversed-phase silica gels (Merck, Darmstadt, Germany) were used for column chromatography (CC) and thin-layer chromatography (TLC). The compounds were visualized on TLC by spraying with 15% H
2SO
4/ethanol, followed by heating.
NMR spectroscopy was performed using deuterated solvents in an
UltraShield Plus 500 (Bruker, Billerica, MA, USA) spectrometer operating at 500 MHz for
1H and 125 MHz for
13C at the College of Pharmacy, Prince Sattam Bin Abdulaziz University. The two-dimensional NMR analyses (COSY, HSQC, and HMBC) were conducted using the standard Bruker pulse program. Chemical shift values are reported in δ (ppm) relative to an internal standard (TMS), and coupling constants (J) are reported in Hertz (Hz).
HRMS was performed using a Thermo Scientific
UPLC RS Ultimate 3000 Q Exactive Hybrid Quadrupole-Orbitrap Mass Spectrometer (Mundelein, IL, USA) combined with high-performance quadrupole precursor selection with high resolution, accurate-mass (HR/AM) Orbitrap™ detection. The instrument was located at Prince Sattam Bin Abdulaziz University, College of Pharmacy. The detection was performed in negative and positive modes, and the experiment run time was 1 min using nitrogen as the supplementary gas with a scan range from 160–1500 m/z.
Al-Massarani S.M., Aldurayhim L.S., Alotaibi I.A., Abdelmageed M.W., Rehman M.T., Basudan O.A., Abdel-Kader M.S., Alajmi M.F., Abdel Bar F.M., Alam P., Al Tamimi M.M, & El Gamal A.A. (2023). Biomarker Quantification, Spectroscopic, and Molecular Docking Studies of the Active Compounds Isolated from the Edible Plant Sisymbrium irio L.. Pharmaceuticals, 16(4), 498.