ACD/MS Fragmenter

ACD/MS Fragmenter predicts fragment ions based on established MS fragmentation rules from the literature. The task of fragmentation prediction, which normally requires expert knowledge, can be performed automatically, in seconds, with MS Fragmenter.

• Understand the fragmentation of your molecule. Review key fragmentation pathways and ion structures in a convenient fragmentation tree.
• Review possible fragment ion structures, without bias. When interpreting spectra, sometimes our expertise gets in the way of thinking of an unusual, but possible fragment ion structure. MS Fragmenter can help you understand these unusual fragment ions, and review all possibilities.
• Predict fragment ions according to ionization technique and polarity. New negative ionization predictions mean you can now predict ions for almost any MS experiment.
• Report fragmentation pathways with ease. Need to create a fragmentation pathway for group meeting or publication? MS Fragmenter makes it easy to report the pathway of interest in two mouse clicks.