To facilitate molecular formula analysis without the need for both MS and MS/MS fragmentation, Bruker Daltonics has developed a Generate Molecular Formula tool within its DataAnalysis software package
Bruker Daltonics has announced the release of a significant new application note, its FTMS-35 'apex-Qe: A powerful platform for molecular formula determination'.
The ability of mass spectrometry to determine molecular composition is widely applicable to various disciplines including pharmaceutical discovery, metabolomics, petroleum analysis, geochemistry, and environmental chemistry, among others.
Performing compositional analysis without fragmentation spectra is advantageous when measuring complex mixtures, and is intrinsically faster, allowing higher throughput in many cases.
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.
"The apex-Qe is ideally suited for this type of molecular composition analysis because of its unparalleled mass accuracy, precision, and resolving power.
"Scientists enjoy complete confidence in empirical formula generation up to much higher molecular weights than with any other mass spectrometry technology", said Victor Fursey, assistant vice president.
Scientists may obtain copies of the FTMS-35 application note by calling their local Bruker office.
