Product category:
Measurement and Quality Software and SPC
News Release from: Cerno Bioscience | Subject: MassWorks
Edited by the Manufacturingtalk Editorial
Team on 21 August 2006
Determination of elemental composition
A new publication from Cerno Bioscience reveals that its award winning MassWorks will determine elemental composition with an ion trap at unit mass resolution without the need for skilled operators.
A new publication from Cerno Bioscience reveals that its award winning MassWorks, an easy-to-use post acquisition software package that utilizes Cerno's patented MSIntegrity technology to dramatically improve mass spectral measurements, will determine elemental composition with an ion trap at unit mass resolution without the need for a high cost instrument or highly skilled operators 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 dramatically more accurate results
This article was originally published on Manufacturingtalk on 14 Mar 2006 at 8.00am (UK)
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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.
Further reading
ECD with mass spectrometers
Cerno Bioscience announced its MassWorks Clips to attain fast and reliable elemental composition determination (ECD) from single or triple quadrupole mass spectrometers.
Calibration tutorial for spectrometry
An online tutorial to accompany MassWorks Clips (Calibrated Lineshape Isotope Profile Search) software is available from Cerno Bioscience.
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 very high mass accuracy of 1 ppm; most importantly it corrects the profile mode spectra to a mathematically defined peak shape.
This new approach delivers superior 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.
This approach is an important discovery and will become a powerful tool in challenging areas such as proteomics, metabolomics, as well as environmental applications that require comprehensive analysis of complex mixtures.
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.
MassWorks utilizes Cerno's DirectRead technology to read most instrument data formats directly, eliminating the need for importing or exporting MS data to the clipboard or utilizing intermediate exchange formats.
This saves time, reduces transcription errors, simplifies file management, and saves substantial disk space.
As DirectRead does not alter the original data, it assists compliance with common regulatory requirements such as GLP and 21 CFR Part 11.
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