MassFragment assigns structures to your observed fragment ions of small molecule compounds, drugs, and/or metabolites by applying novel algorithms to known precursor structures.
Chemically Intelligent Algorithms
MassFragment automatically identifies product ion fragments using a series of novel, chemically intelligent algorithms. This approach is based on systematic bond disconnection of the precursor structure instead of the traditional rule-based approach. Rule-based approaches are limited to the extent the rules are coded and will not always provide the information required.