FT-MS Spectrometry

To facilitate molecular formula analysis without the need for both MS and MS/MS fragmentation, Bruker Daltonics has developed an innovative Generate ­Molecular Formula tool within its DataAnalysis software package. When used with high performance mass spectrometers, such as the Bruker Daltonics apex-Qe series, additional information fortifies the mass measurement to provide an ­extremely confident determination of the elemental makeup of a given peak. By creating robust statistical models using the masses, intensities, and spacing of each isotope in the measured distribution, the investigator is equipped with all the ­ ­information required to determine the correct elemental formula for completely unknown organic molecules. This approach is valid for much higher ­molecular weight species where by mass alone there would be far too many candidate formulae.