This was achieved by setting up ROC curves for mass tolerances of 0.001, 0.005, 0.010, 0.020, 0.100, and 0.200 Da with score CN L thresholds in a range of -1 to 1 with steps of 0.01. With the optimized mass tolerance selected, the influence of the sample concentration and matrix were assessed through ROC curves with the same score CN L threshold range, using the pesticide samples at different concentrations and with added tea matrix, respectively. Additionally, the difference in model performance for the lower and higher collision energy scans and for different ranges of CNLs were investigated, again using the optimized mass tolerance and score CN L and all three sample sets. For the CNL range influence, the TP and FD rates were calculated for the cases with a CNL mass range of 0-100, 100-200, 200-300, and 300-400 m/z.