performed in a hybrid quadrupole-TOF LC/MS/MS mass spectrometer system
(Sciex Triple ToF 5600, Singapore), which was connected to a Kinetex
C18 100A (30 mm × 2.1 mm, 1.7 μm) Phenomenex column at
a flow rate of 0.4 mL/min. The mobile phase comprises solvent A 0.1%
acetic acid in water and solvent B 0.1% acetic acid in acetonitrile
and methanol in an 8:2 ratio.23 (link) The column
temperature was maintained at 35 °C, and the mass measurements
were taken with a scan range of 200–2000 m/z and an IRDx resolution of 15 000 in the
ESI negative mode. GS1-45, GS2-60, and Curtain GAS (CUR)-40 were used
as gases. The duospray ion source was set with an ion spray voltage
floating (ISVF) of 4500 at 400 °C. The cycle time was 700 ms,
the accumulation time was 250.0 ms, and the accumulation time was
30 min. The information-dependent acquisition (IDA) procedure employed
the most intense ion with spread energy at 20% and normal collision
energy at 45%. The mass measurements were recorded with a scan range
of 200–2000 m/z in the ESI
negative mode. The data were analyzed using Peak View 2.1 software
(AB SCIEX Triple TOF 5600, Singapore) and equipped with MasterViewTM
(Version 1.0, AB SCIEX). The XIC manager tool in Master View was used
to detect quasi-molecular weights, mass errors, and isotope patterns
of both nontargeted and targeted compounds.