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MIND improves mass accuracy of high-resolution top-down proteomics

With MIND (MonoIsotopic mass liNear preDictor), VITO and UA developed a soft-sensor to improve mass accuracy of high-resolution top-down proteomics.

A typical approach to determine the mass and charge-state of intact proteins visualized by low-resolution mass spectrometry is based on the observed charge distribution of that molecule in a spectrum. However, in the case of high-resolution mass spectrometry, additional information becomes operative. Existing instrumentation is capable of resolving the isotope distribution of multiple charged proteins. From the observed distribution, the charge-state can be easily inferred and the average mass of the molecule is calculated as a weighted sum of the measured intensity and mass values of the considered isotope peaks.

These known high-resolution mass spectrometry results tend to be suboptimal and prone to error  since a measurement error on the observed intensities will propagate through the calculation of the average mass. This error propagation leads to a large uncertainty of the average mass and can hamper a consecutive database-driven identification attempt. However, it is worth noting that mass spectrometry devices are better suited to quantify the mass of molecules then to quantify their abundances, or equivalently, their peak intensities.

Sectors

  • Proteomics data management
  • Mass spectrometry based proteomics
  • Academic world
  • Industry (pharma / laboratories)
"A step change in the paradigm of determining molecules by their average mass."
Dirk Valkenborg - R&D

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