Injection volume	5 μL
Column	C18 (2.6 μm, 100 mm x 3 mm i.d.)
Column temperature	40 °C
Elution flow rate	0.8 mL/min (typical pressure range: 400-600 bars)
Elution gradient	5-45% B in 10 min
	45-98% B in 2 min
Wash step	98% B for 2 min
Equilibrating step	5% B for 4 min
ESI-MS/MS	cone voltage, 30 V; capillary source voltage, 3.0 kV; capillary temperature, 350 °C; source temperature, 120 °C; sheath gas - nitrogen (600 L/h); collision gas pressure, argon set to 3 x 10-3 mbar
	Collision parameters and reaction channels optimized with a dwell time of 0.1 s, 0.01 s of interscan delays and collision energy set at 20 eV.
	MAL detection with mass transitions 446 → 346 (MAL) and 404 → 304 (dMAL).
	MOCPAC detection with mass transitions 494 → 449 (MOCPAC) and 439 → 394 (dMOCPAC).
	BATCP detection with mass transitions 500 → 400 (BATCP) and 476 → 376 (dBATCP).