Does your MS data match your compound? Find out by predicting mass fragments based on chemical structure and matching the prediction to your spectrum. MS Fragmenter can support your spectral interpretation by helping you:

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Predict fragmentation pathways for any small molecule
Customize the prediction with chemical context
Filter results based on ions in your data
Easily generate fragmentation reports

The Best LC/MS & GC/MS Software Tool for Estimating Mass Spectral Fragmentation
Predict mass fragmentation in seconds with ACD/MS Fragmenter:

Simply draw a structure, select an ionization technique and polarity, and get instant MS fragmentation predictions.
Predict fragment ions based on established literature rules, which can be readily reviewed to gain mechanistic insight into a target molecule's fragmentation.
Accelerate structure elucidation and confirmation by automatically assigning predicted mass fragments to experimental spectra processed in ACD/Spectrus Processor or ACD/MS Workbook Suite.

Key MS Fragmentation Features

Estimate fragmentation for small molecules of up to 255 atoms (excluding hydrogens)
Predict fragments for both positive and negative ionization
Review key fragmentation pathways and ion structures in a convenient fragmentation tree
Visualize fragmentation according to several different frameworks: Branch, Scheme, Compact, and Detailed

Valuable Benefits of MS Fragmenter

Gain a greater understanding of target molecule fragmentation
Review numerous possible fragment ion structures, without bias
Easily compile fragmentation pathways for use in reports or publications

#MS #MassSpec #Chemistry

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