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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 is available in English and in Japanese and it includes six types of spectra: laser Raman spectra, electron ionization mass spectra (EI-MS), Fourier-transform infrared (FT-IR) spectra, 1 H nuclear magnetic resonance (1 H-NMR) spectra, 13 C nuclear magnetic resonance (13 C-NMR) spectra and electron paramagnetic resonance (EPR ...
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.
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 ...
The nuclear magnetic resonance database method enables the identification of the stereochemistry of chiral molecules, especially polyols. It relies on the observation that NMR spectroscopy data depend only on the immediate environment near an asymmetric carbon , not on the entire molecular structure.
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.
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
Multiple chemical shift databases and related services have been created to aid structural elucidation of and expert analysis of their NMR spectra. Of them, several informatics tools are dedicated solely to carbohydrates: GlycoSCIENCES.de over 4,000 NMR spectra of mammalian glycans [2] search of structure by NMR signals and vice versa