Natural Product Discovery with LC-MS/MS Diagnostic Fragmentation Filtering: Application for Microcystin AnalysisDavid R. McMullin 1, Shawn Hoogstra 2, Kimberlynn P. McDonald 1, Mark W. Sumarah 1,2, Justin B. Renaud 2
1Department of Chemistry, Carleton University Ottawa, 2London Research and Development Center, Agriculture and Agri-Food Canada
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.
