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Software used to give new capabilities to mass spectroscopy

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Cerno Bioscience, a developer of software for mass spectrometry, has published research showing that spectral accuracy is a proven companion concept for mass spectrometry (MS). According to the company, spectral accuracy enables new capabilities for MS that were previously thought infeasible, including elemental composition determination (formula ID) with even a single quadrupole GC/MS or LC/MS and the elimination of up to 99 per cent of incorrect formulas on high resolution MS systems through mass accuracy alone.

The concept of spectral accuracy for MS has more crucial relevance to the ions being measured and the MS instrumentation used. By utilising a novel calibration scheme to correct not only m/z, but more importantly peak shape, up to 100 times better mass accuracy and unparalleled spectral accuracy could be achieved on an otherwise conventional unit mass resolution quadrupole system for elemental composition determination, a capability typically reserved for higher resolution MS systems. This is accomplished through a process called CLIPS in the company's commercially available MassWorks software.