Autocalibration was performed every five injections. For data independent acquisition (DIA) mode instrument parameters (Table ), data were collected using 105 variable windows from 450 to 2050 m/z (Table ), for spectral library creation data dependent acquisition (DDA) was used (Table ). For cyclic IMS QToF data were collected in DIA mode with a 100 minute gradient (Table ), with mobility, using system settings adapted from Nagy, K. et al.,