SimLipid will enable lipidomics researchers to exploit the information provided by the latest technological advancement in the field of mass spectrometry
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Palo Alto, CA (PRWEB) June 01, 2017
PREMIER Biosoft today announced the release of a new version of its SimLipid® informatics platform (v. 6.00) to advance biological lipidomics research. This version offers a first-ever automated lipidomic data analysis solution for use with a Waters® ACQUITY® Ultra Performance LC® (UPLC®) and Xevo® G2-XS QTof Mass Spectrometry (MS) system for lipid analysis.
Responding to the challenges set forth by leading lipid researchers, PREMIER Biosoft joined with scientists from Waters Corporation to develop an advanced informatics tool for comprehensive lipid characterization from complex biological samples. The solution uses data generated by Waters ACQUITY UPLC Systems and a scanning quadrupole data independent acquisition (DIA) method, termed SONAR, which is available on Waters’ hybrid, quadrupole, orthogonal time-of-flight mass spectrometer, the Xevo G2-XS QTof System. SONAR DIA acquisition provides data for quantitation and identification in a single injection.
The SONAR data acquisition mode provides increased selectivity compared to a conventional DIA experiments while collecting data at UPLC-compatible speeds. This technology provides greater levels of specificity and class separation to lipid analysis, including the separation of isobaric/isomeric lipid species. Combining Waters LC-MS/MS instrumentation and its novel DIA SONAR acquisition mode with SimLipid informatics enables new insights for lipidomics researchers who want to use targeted MS/MS quantification to investigate their ideas without setting up additional methods or experiments.
“SimLipid offers an exciting new informatics workflow for Waters SONAR lipidomics methods,” comments David Heywood, Senior Manager Omics Business Development, Waters Corporation. “SimLipid will enable lipidomics researchers to exploit the information provided by the latest technological advancement in the field of mass spectrometry.”
PREMIER Biosoft’s SimLipid augments the UPLC-SONAR lipidomics workflows by processing the data for peak detection, peak picking, and association of fragment ions with their precursor ions based on retention times, quadrupole positions (bin) of the ions.
SimLipid identifies a lipid species by performing an exact mass database search to generate a list of lipid candidates. These candidates are then ranked by comparing diagnostic product ions observed in the high-energy, post-quadrupole fragmentation data with the structure-specific in-silico fragment ions in the SimLipid database. Interpretation of MS/MS spectra has been streamlined by annotating matched peaks with corresponding lipids and fragment structures.
“PREMIER Biosoft is excited to collaborate with Waters Corporation,” said Arun Apte, CEO at PREMIER Biosoft. “Using the high data selectivity offered by SONAR MS/MS acquisitions, SimLipid offers lipidomics specific data handling options for increasingly complex samples by supporting best-in-class mass spectrometry methods.”
SimLipid software has been developed to provide automated lipidomics data analysis for LC-, Shotgun including MALDI-, MS, and MS/MS (both DDA, and DIA) data.
About PREMIER Biosoft International
Founded in 1994, PREMIER Biosoft International is led by computer scientists and biologists dedicated to producing cutting edge intuitive software for research in life sciences. The company’s goal is to study the most recent innovations in life sciences and translate them into software products to aid research. http://www.premierbiosoft.com
About Waters Corporation
Waters Corporation, the world's leading specialty measurement company, has pioneered chromatography, mass spectrometry and thermal analysis innovations serving the life, materials and food sciences for nearly 60 years. With approximately 7,000 employees worldwide, Waters operates directly in 31 countries, including 15 manufacturing facilities, and with products available in more than 100 countries. http://www.waters.com