Mass spectra, unlike NMR and IR spectra, have no frame of reference. Each fragment mass has to be interpreted in the context of other masses. Our patented pattern recognition software allows you to visualize the fragment ions in the spectrum as being composed of small "subfragments" that comprise the unknown molecule.
"What might the compound look like that generated this accurate-mass fragmentation spectrum?" The pattern recognition software, now available as a simple Excel® Add-In, rapidly transforms accurate-mass fragmentation data into a structure-orientated graphical format (Example). By building upon the graphical and computational capabilities of Excel, the Add-In can be offered at a very reasonable price. The Add-In also includes some very useful mass spectral functions for Excel that fill down and across like any other Excel function.
For a quick overview on how the Excel Add-In works, please view our 3 minute MathSpec YouTube Video.