Diagnostic fragmentation filtering, implemented into MZmine, is an elegant, post-acquisition approach to screen LC-MS/MS datasets for entire classes of both known and unknown natural products. This tool searches MS/MS spectra for product ions and/or neutral losses that the analyst has defined as being diagnostic for the entire class of compounds.
McMullin, D. R., Hoogstra, S., McDonald, K. P., Sumarah, M. W., Renaud, J. B. Natural Product Discovery with LC-MS/MS Diagnostic Fragmentation Filtering: Application for Microcystin Analysis. J. Vis. Exp. (147), e59712, doi:10.3791/59712 (2019).