PREMIER Biosoft, a next generation leader in bioinformatics, has announced the release of a new version of SimGlycan®, a comprehensive, high throughput tool to provide automated informatics support for LC-MS and MS/MS glycan data analysis workflows. The new version of the software facilitates processing of LC-MS and MS/MS data for peak detection, peak picking and alignment of glycans based on retention time, precursor m/z values, observed intensities across multiple samples.
According to Julian Saba, Senior Scientist at Thermo Scientific™, "Recent developments in mixed–mode column chemistries and faster scanning mass spectrometers have increased the number of glycans resolved and identified by LC-MS workflows thereby delivering an unmatched analytical solution for glycan research. Our sophisticated workflows, along with SimGlycan® as the informatics support, provide best-in-class glycan analysis. "
The newly developed glycomics workflow that features Thermo Scientific™ GlycanPac™ AXR-1 column coupled to a Thermo Scientific™ Orbitrap™ Fusion™ Tribrid mass spectrometer or Thermo ScientificTM Q ExactiveTM hybrid quadrupole-Orbitrap mass spectrometer enable resolution and identification of far more structures compared to other commercially available column technologies. However, the increase in peak resolution and detected compounds lead to large data sets. Manual deconvolution of complex chromatograms, identification of isotopic peaks, identifying MS/MS scans for detected compounds and selection of correct precursor m/z values from the isotope cluster for MS/MS data analysis is effectively incorporated in SimGlycan®.
"As instruments get more sophisticated and aim to deliver highly accurate results, our effort is to upgrade the informatics support in the hands of the glycomics community to precisely interpret the new data analysis workflows supported by Thermo's instruments." said Arun Apte, CEO at PREMIER Biosoft.