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Ever wish that there was a large MS/MS library to help identify unknown compounds observed by LCMS? That would make identification by LCMS as easy as GCMS.

Our company has developed pattern matching software that compares accurate-mass fragmentation data directly against a large database of small molecules (represented as "rows" of mathematical partitions) to find matching compounds. Traditional mass spectral libraries are no longer needed. Advances in mass spectrometers and computers have made this breakthrough possible. This is the ideal solution for identifying many types of small molecules: drugs, indigenous metabolites, food adulterants, packaging components, additives, and natural products. The Rational Numbers® pattern matching software and the database of partitions all reside on our computers; all you need is your accurate-mass fragmentation data.

In the battle between numbers and humans, we just launched a simple Excel® Add-In that rapidly finds the most simple interpretations of accurate-mass fragmentation data. This is great for identifying proprietary reaction products, impurities, degradation products, and metabolites. Request your free demo disk.

For a quick overview of Rational Numbers® pattern matching and pattern recognition software, please view all of our MathSpec YouTube Videos

 

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