Xevo tqd triple quadrupole system

The LC-MS-MS characterization was carried out
on Xevo TQD triple quadrupole system (Waters Corporation, Milford,
MA) equipped with an ESI source. The ion trap MS system was coupled
to a UPLC instrument equipped with a reversed-phase C-18 column (Acquity
UPLC BEH C18 column, 1.7 μm particle size, 2.1 × 50 mm
column). The analysis was performed according to the method and parameters
that were developed by Bakr et al. 2021,^{22 (link)} with slight modifications in the mobile phase gradient flow as follows:
0–2 min, 5% B; 2–5 min, 5–20% B; 5–15
min, 20–30% B; 15–22 min, 30–50% B; 22–25
min, 50%B; 25–26 min, 50–80% B; 26–29 min, 80–5%;
and 29–30 min, 5% B. Solvent A was water and solvent B was
acetonitrile, and both were acidified with 0.1% formic acid.

The UPLC-MS-MS spectra were obtained by using an Xevo TQD triple quadrupole system (Waters Corporation, Milford, Massachusetts) equipped with an ESI source (electrospray voltage, 3.0kV; sheath gas, nitrogen; and capillary temperature, 440°C) in negative ionization mode. The ion trap mass spectrometry (MS) system was coupled with a Waters aquity UPLC instrument (USA) equipped with a reversed-phase C-18 column (ACQUITY UPLC BEH C18 column (Waters Corp., Milford, MA, USA), 1.7 µm particle size, 2.1×50mm column). Mobile phase elution was conducted with a flow rate of 0.2mL/min by using a gradient mobile phase comprising two eluents: eluent A was H₂O acidified with 0.1% formic acid, and eluent B was MeOH acidified with 0.1% formic acid. The MSn spectra were detected in negative mode between m/z 100 and 1000 with a starting collision-induced dissociation energy of 30eV. The peaks and spectra were processed using MassLynx 4.1 software (Waters, USA) and tentatively identified by comparing retention times (R_t) and mass spectrum with previously reported data.