BRUKER HMDB METABOLITE LIBRARY

Gain deeper biological insights. The metabolome in human biofluids contains a vast number of compounds that can give a snapshot on the health of an individual. However, metabolite identification from these complex fluids remains a major analytical challenge. Due to the variability of molecular structures, metabolites usually do not have predictable fragmentation patterns to aid in identification. Therefore, techniques pioneered in the field of proteomics such as database searching can not be utilized. Instead, a rapid identification can be enabled by matching experimental MS/MS spectra to existing MS/MS libraries. Benefits: • Productivity with rapid identification using integrated software • Confidence with access to a high resolution quality controlled spectral MSMS library • Performance with links to external repositories for bringing identified molecules quickly into a biological context. TECHNICAL DETAILS: The Bruker HMDB (Human Metabolome Data Base) Metabolite Library is exclusively provided by Bruker and was generated in collaboration with Prof. Liang Li and Prof. David Wishart and their teams at the University of Alberta, Canada. The Bruker HMDB Metabolite Library is a manually curated mass spectral library that facilitates the identification of metabolites in (human) metabolomics research. The library is stored on your PC providing private search capabilities and contains MS and MS/MS spectra and additional information on >750 reference standards. Compounds were selected from the Human Metabolome Data Base (HMDB) and include metabolites found in urine, blood, other biofluids, and cell extracts. Data for the Bruker HMDB Metabolite Library were acquired using pure reference standards. All compounds were measured on an impact series Q- TOF high-resolution mass spectrometer using 5 different collision energies levels. All spectra were manually inspected to remove noisy spectra and contaminant peaks. The masses of precursor and fragment ions were corrected to match the theoretical mass values and isotopic pattern distributions. APPLICATIONS: • qTOF instruments: High performance targeted and non-targeted profiling • LC/GC QQQ: Performance and Reliability in an Easy-to-Use Platform • MetabolicProfiler: System solution MS+NMR • ProfileAnaylsis: Non-targeted metabolomics • Compass PathwayScreener: Targeted metabolomics.