ACD/MS Fragmenter—Predict Mass Spectral Fragmentation

Software for the prediction of mass spectral fragmentation.

Predict Mass Spectral Fragmentation with ACD/MS Fragmenter

Predict mass fragmentation in just seconds with ACD/MS Fragmenter. Simply draw a structure, select an ionization technique and polarity, and get instant predictions for almost any MS experiment. ACD/MS Fragmenter predicts fragment ions based on established MS fragmentation rules from the literature and allows you to review the rules to gain a clear understanding of your molecule’s fragmentation.


  • Predict fragmentation for small molecules of up to 255 atoms + hydrogens
  • Predict fragments from both positive and negative ionization
  • Review key fragmentation pathways and ion structures in a convenient fragmentation tree
  • Create several types of fragmentation reports including Branch, Scheme, Compact, and Detailed


  • Gain a better understanding of the fragmentation of your molecule
  • Review possible fragment ion structures, without bias
  • Report fragmentation pathways for reports or publications with ease

Make structure elucidation and confirmation faster and easier by automatically assigning predicted mass fragments to experimental spectra processed in either ACD/Spectrus Processor or ACD/MS Workbook Suite.