Table 1.

Multiple reaction monitoring (MRM) transitions and mass spectrometric conditions used for the identification of caffeine and theobromine isolated from I. paraguariensis and various cultivars of I. aquifolium.

Compound	MRM Transition m/z (Q1 → Q3)	Q1 (V)	CE (V)	Q3 (V)
Caffeine	195.2 → 138.10	−10.0	−22	−22.0
	195.2 → 42.15	−10.0	−36	−15.0
Theobromine	181.1 → 138.10	−10.0	−22	−22.0
	181.1 → 89.10	−10.0	−31	−18.0