Fig. 4.

Overlapping between unique m/z values found by the new machine learning approach, apLCMS and XCMS. All m/z values used in the training of the machine learning approach were removed. Numbers in parentheses are the percentage of the peaks matched to [M + H]⁺, [M + K]⁺, [M + Na]⁺ or [M + NH₄]⁺ ion forms in MMCD. Matching between the methods and to the database was based on m/z value at the 5 ppm tolerance level