How do I let the pattern matching software know my mass accuracy window and my elemental formula constraints?
There are no parameters that need to be set. An instrument capable of obtaining a mass accuracy of 12 ppm is needed to use Rational Numbers Search. No elemental formula constraints are needed other those imposed by the mass spectral data itself. The database contain compounds between 99 and 999 daltons composed of the elements C,H,N,O,S,P,F,Cl,and Br.
There are no parameters that need to be set. An instrument capable of obtaining a mass accuracy of 12 ppm or better is needed to use Rational Numbers Search (the accuracy window can be customized to the user’s instrument). No elemental formula constraints are needed other those imposed by the mass spectral data itself. The database contain 132279 common compounds with molecular weights between 99 and 999 daltons composed of the elements C,H,N,O,S,P,F,Cl,and Br.
