Application Note Shows that Cerno's MassWorks Software Extends the Limits of Mass Spectrometry
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A publication from Cerno Bioscience has revealed that its MassWorks, a post acquisition software package that utilizes Cerno's patented MSIntegrity technology to improve mass spectral measurements, will determine elemental composition with an ion trap at unit mass resolution.
The paper entitled 'Determination of Elemental Composition with an Ion Trap at Unit Mass Resolution', demonstrates that while high mass accuracy is important for elemental composition determination, proper peak shape calibration can allow accurate isotope profile matching that can lead to accurate results.
The paper illustrates this using LC/MS of verapamil metabolites from rat microsomal incubation.
Two major components of verapamil and its demethylated metabolite were observed using this analysis; the molecular ion and its sodium adducts were found at m/z 455 and 477 respectively, while the demethylated metabolite found at 441 was also detected with its sodium adduct at m/z of 463.
The external calibration created from the calibration mixture was then applied to the raw profile mode spectra.
Cerno claims that, MassWorks MSintegrity algorithm not only improves the mass accuracy, although this alone does not provide sufficient specificity to effectively determine an unknown molecule even at high mass accuracy of 1 ppm; most importantly it corrects the profile mode spectra to a mathematically defined peak shape.
This approach is designed to deliver search performance, even when the mass error for unknown molecules is as much as 100 ppm, a level of mass accuracy unsuitable for elemental composition determination through conventional approaches.
Cerno has also demonstrated the ability to obtain even higher mass accuracy on quadrupole systems to further improve selectivity.
Cerno will be showcasing MassWorks at the 17th International Mass Spectrometry Conference to be held in Prague from August 27th - September 1st 2006. You can visit the company at booth # 30.
