For features identified through patRoon non-target screening, the individualMoNAscore (0-1) was employed for the annotation. Level 2a was assigned when individualMoNAscore> 0.9. Level 3a was considered when the score was in the range of 0.7-0.9, and Level 3b when 0.4-0.7, as previously described . Chemicals identified by patRoon suspect screening were automatically annotated following pre-defined rules specified in the handbook .