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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, but the largest MS/MS library currently available has less than 2000 compounds.


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. For identifying novel compounds, a much faster version of our pattern recognition software will be launched early next year.


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.

 

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