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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 a search engine that compares accurate-mass fragmentation data directly against an index of PubChem (Rational Numbers® Search) to find matching compounds. Traditional mass spectral libraries are no longer needed. Advances in mass spectrometry and computational power 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.

Since the Rational Numbers Search engine and index all reside on our computers, there is no need to load any software into your mass spectrometer's workstation. All you need is your data.

Below the molecular structure of xemilofiban is compared to its modular structure. Small molecules are viewed as mathematical partitions, and then those partitions that most simply fit the mass spectral data are found by the computer.
 
   

 

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