capillary voltage, 3.0 kV; cone voltage, 40 V; cone gas flow of 11 L/h; collision energy, 50 eV; source temperature, 100 C; desolvation temperature, 250 C; collision gas, argon; desolvation gas (nitrogen) flow rate, 600 l/h; data acquisition range, m/z 100–1500 Da; ionisation mode, positive.