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 search engines that compare accurate-mass fragmentation data directly against indices of the MDL® Available Chemicals Directory (Rational Numbers® FragSearch) and PubChem (Rational Numbers® IndexSearch) to find matching compounds. Traditional mass spectral libraries are no longer needed. Advances in mass spectrometry and the computational power now readily available on the Sun(TM) Grid Compute Utility 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. Your data can be searched against our index of over 10 million small molecules found in the PubChem database or our index of the MDL(R) Available Chemicals Directory with over 500000 commercially available compounds.

The Rational Numbers search engines are available as a subscription service. Since the search engines and indices all reside on the Sun Grid, there is no need to load any software into your computer. All you need is your data and an account on the Sun Grid.