Lct premier xe tof ms

The molecules were provided diluted in DMSO at 10mM and were stored at −20 °C. The full data on the Pathogen Box compounds are available at https://www.pathogenbox.org (accessed on 30 May 2021). A LCT-Premier XE TOF-MS (Waters, Milford, MA, USA) was employed for registering MS spectra in the 100–1500 m/z range of the selected molecules.

MS data were acquired by using a Waters LCT Premier XE TOF-MS (Waters, Mircomas, MA, USA). Positive and negative ionization modes were acquired via DuoSpray electrospray ionization (ESI). Optimal conditions for high-resolution MS analysis were as follows: Negative ion mode: capillary voltage 1.5 kV, cone voltage 50 V, ion source temperature 110 °C, dissolvent gas temperature 350 °C, dissolvent gas flow rate 750 L/h. Positive ion mode: capillary voltage 1.3 kV, cone voltage 45V, ion source temperature 110 °C, dissolvent gas temperature 350 °C, dissolvent gas flow rate 750 L/h. For accurate mass calibration application, Waters Lockspary calibration system was used for online real-time calibration with leucine-enkephalin solution ([M+H]⁺ = 556.2771, [M−H]⁻ = 554.2620), with a calibration solution injection rate of 100 µL/min and calibration frequency of 5 s. The scan mode was full scan, mass data acquisition range of m/z 100–1500. The scan time was 0.2 s, and data acquisition was performed in centroid mode.