VENDOR-NEUTRAL, BROWSER-BASED MS DATA PROCESSING
Anne Marie Smith, Product Manager, Mass Spectrometry and Chromatography, ACD/Labs
Authors: Anne Marie Smith, Richard Lee, Shahriar Jahanbakht, Vitaly Lashin, Sofya Chudova, Nikita Galvrilchik, Rostislav Pol
Analytical data processing is moving to the Internet browser. Browser-based apps are easy to access, and many such apps are cloud-based and available from anywhere. In addition, cloud deployments provide computing power on-demand, cutting costs and time.
In response, several browser-based LC/MS and GC/MS processing tools have emerged. But until now, commercial tools have not been vendor-neutral.
With most scientific labs owning chromatography and MS instruments from multiple vendors, software complexity increases. Each vendor outputs data in its own format and provides its own processing tools. Scientists must learn and switch between multiple processing interfaces.
Here, we present a simplified software landscape: Spectrus JS, a vendor-neutral browser-based tool for processing MS data. Now, scientists can handle all their data in one interface.
LC/MS and GC/MS data in multiple major instrument vendor formats was imported into Spectrus JS. Peaks were detected and integrated, and chemical structures were assigned. The processed data was saved, and an auto-generated report was created from the results.
Preliminary data (results)
Spectrus JS successfully handled peak detection and integration. It also recorded all actions in an audit trail, allowing processing steps to be traced for data integrity. The software worked with major vendor formats and all major browsers (Chrome, Safari, Firefox, Edge, and Opera).
NMR, chromatography, and hyphenated chromatography-MS data could also be analyzed in Spectrus JS, further reducing software learning requirements for scientists who use NMR, chromatography, and MS.
Spectrus JS was designed for both cloud and on-premise deployment. Cloud deployments employ clustering technology to address scalability and load demand. This flexibility allows organizations to choose the model that fits their size, use patterns, and security requirements.
Please explain why your abstract is innovative for mass spectrometry?
A vendor-neutral browser-based tool allows scientists to process any MS data from one interface, decreasing the data-handling barrier for MS labs.