Bruker NMR Metabolic Profiling Database, now with over 500 Compounds

Bruker BioSpin now offers its NMR Metabolic Profiling Database for NMR-based metabolite identification and quantification with more than 500 compounds.

According to company, this reference data base contains information on the most relevant endogenous metabolites in body fluids (urine, blood, cerebral spinal fluid), and known metabolites of over-the-counter drugs and food ingredients.

Bruker BioSpin says that it can enable automatic compound detection for a wide range of applications from body fluid and tissue analysis to quality control in food and beverages.

Developed under strict quality regulations, this NMR reference data base is the result of an international collaboration between major pharmaceutical and food companies, leading researchers in the field of metabonomics and Bruker BioSpin.

The database contains 1D data covering the range from pH 3 to 8 in pH 0.5 intervals, and 2D data collected at pH 3, 5 and 7, for a total of over 13,500 NMR spectra all collected at 600 MHz. History files with digital signatures allow complete tracking of database entry generation; from preparation to spectral clean up, for strict quality regulations.

The database provides a direct link to Bruker’s AMIX™ Software for comprehensive statistical analysis and can also be combined with other custom data bases.

The Bruker Metabolic Profiling Database is an integral part of Bruker’s Metabolic Profiler™, an integrated solution that combines NMR with accurate mass time-of-flight (TOF) MS. A major application of the Metabolic Profiling Database is spectral evaluation and statistical model building in toxicity and efficacy studies in the pharmaceutical and biotech industries.

“The knowledge of metabolite concentrations and their interactions in the human body is key to gaining fundamental insight into pathologies and to allow their early detection and prevention. The ability to determine individual human metabolic profiles forms the basis to further develop personalized medicine. These goals are most successfully achieved using information-rich analysis techniques, such as NMR, in combination with the power of comprehensive reference data bases, instead of just focusing on individual biomarkers,” stated Dr. Manfred Spraul, Director NMR-Applications at Bruker BioSpin GmbH.