2.7.3. Compound identification Samples were primarily investigated by non-target MS-only
analysis. This screening was carried out on a hybrid quadrupoletime-of-flight mass spectrometer coupled to an UPLC chromatographic system (UPLC/Q-TOF). The instrument was run in the positive scan mode and operated to acquire MS-only spectra. A 1290 UPLC chromatographic system, equipped with a binary pump and a Dual Electrospray JetStream ionization system, and coupled to a G6550 mass spectrometer (all from Agilent technologies Santa Clara, CA, USA) was used. The gradient started with 5% methanol and increased to 90% within 30 min and was then held constant for 5 min. The mobile phase temperature was set to 35
C, the injection volume was 3 mL and the flow rate was 220 mL/min. The injection volume was 1 mL, and reverse phase separation was carried out on an Agilent Zorbax Eclipse-plus column (75 2.1 mm i.d., 1.8 mm).