Agilent Technologies has entered an agreement with Mass Consortium to develop customisable desktop software that will automate Metlin metabolite database searches
This database is a dynamic data-management resource for the characterisation of known and unknown metabolites - small molecules produced during such metabolic processes as respiration and the breakdown of drugs.
"The comprehensive examination of metabolites is crucial for understanding living systems, whether it is in fundamental biochemistry, disease diagnosis or drug toxicity," said Gary Siuzdak, founder of Mass Consortium.
"By making the Metlin database easily available to its customer base and thus enabling fast, accurate metabolite identification, Agilent is helping to accelerate the development of the field of metabolomics".
The new software package will aid researchers in attaining a broad perspective on biochemical events beyond proteins, in discovering biomarkers, and in conducting toxicological profiling to better screen compounds.
"This agreement will make the Metlin Database a more powerful resource for the characterization of metabolites," explained Siuzdak.
The Metlin Database is designed to provide public access to its repository of metabolites and mass spectral metabolite data.
Available online to the public, it contains an annotated list of known metabolites derived from compounds originating within or outside the body, as well as their mass, chemical formula and structure.
When possible, each metabolite is linked to other databases.
Searches on these databases include elemental composition, name and mass.
The list continues to expand as more metabolite information is discovered and deposited.
Agilent's metabolomics customers will receive a software package that enables individual customisation of the database using features exclusive to the desktop version, including the addition of proprietary compounds and related data.
The software package will be compatible with Agilent MassHunter Workstation software and Agilent GeneSpring MS software, from which localised automated searches of the entire mass spectral database can be made with a few keystrokes.
"Agilent is committed to advancing the field of metabolomics with our growing portfolio of GC/MS, LC/MS, software tools and applications," said Taia Ergueta, general manager of Agilent's mass spectrometry business.
"Our collaboration with Siuzdak on Metlin adds an indispensable research tool to Agilent's end-to-end bundle of metabolomics instruments and software".
The desktop Metlin software package is scheduled to be available early next year to customers who purchase products from Agilent's metabolomics portfolio, including the 6890/5975 gas chromatograph/mass spectrometer system, the 1200/6210 liquid chromatograph/time-of-flight mass spectrometer system, and the 1200/6510 liquid chromatograph/quadrupole time-of-flight mass spectrometer system.
Agilent will periodically release updates to the database.
