Adjusted parameters for the proposed LC-ITMS experiment.

Liquid chromatographic parameters agilent 1200 HPLC			Mass spectrometric parameters agilent 6320 IT
Gradient mobile phase	A: 1% HCOOH in H2O		Ionization source	Positive ESI
	B: CAN			Drying gas: N2 gas
	Flow rate: 0.250 mL min−1			Flow rate (10 L min−1)
	Run time: 85 min			Pressure (60 psi)
Agilent eclipse plus C18 column	Length	150 mm		ESI temperature: 350 °C
	Internal diameter	2.1 mm		Capillary voltage: 4000 V
	Particle size	3.5 μm	Collision gas	High purity N2
	Temperature:	23 ± 2 °C	Modes	Mass scan and MS2
Gradient system	Time	% B	Analyte	INF and its metabolites
	0	5	Mass parameters	Fragmentation amplitude: 1.25 V
	5	5
	30	40
	50	60
	80	90
	85	5