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The Spectral Database for Organic Compounds (SDBS) is developed and maintained by Japan's National Institute of Advanced Industrial Science and Technology. SDBS includes 14700 1 H NMR spectra and 13000 13 C NMR spectra as well as FT-IR, Raman, ESR, and MS data. The data are stored and displayed as an image of the processed data.
The database contains also a smaller amount of NMR data from carbohydrates, cofactors and ligands. [1] These data are crossreferenced to 3D structures in the PDB when available. The NMR data are provided in the NMR-STAR file format and a number of format conversion tools are available at the site to convert files from NMR-STAR to other formats. [1]
If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]
NMR spectroscopy "BMRB". BRENDA Technical University of Braunschweig: enzymes ligands "BRENDA". Carotenoids Database carotenoids CA "Carotenoids". 1195 CCCBDB: Computational Chemistry Comparison and Benchmark DataBase National Institute of Standards and Technology: gas phase molecules "CCCDBD" 2069 CCRIS Chemical Carcinogenesis Research ...
NMR database (NMR = nuclear magnetic resonance) may refer to: Nuclear magnetic resonance spectra database, a collection of NMR spectra for a large number of compounds; Nuclear magnetic resonance database method, a strategy to identify the stereochemistry of certain chiral compounds
The E. coli Metabolome Database (ECMDB) [1] is a freely accessible, online database of small molecule metabolites found in or produced by Escherichia coli (E. coli strain K12, MG1655). Escherichia coli is perhaps the best studied bacterium on earth and has served as the "model microbe" in microbiology research for more than 60 years.
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A 900 MHz NMR instrument with a 21.1 T magnet at HWB-NMR, Birmingham, UK Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique based on re-orientation of atomic nuclei with non-zero nuclear spins in an external magnetic field.