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In all, this database includes more than 15,000 compounds with the associated 300 MHz 1 H and 75 MHz 13 C spectra. The product includes the software necessary to view and handle the NMR data. This database can be purchased as a library through individual or group contracts. The spectra data appear to be stored as images of processed FID data.
Most of the spectra were acquired and recorded in AIST and some of the collections are still being updated. [3] Since 1997, the database can be accessed free of charge, but its use requires agreeing to a disclaimer; the total accumulated number of times accessed reached 550 million by the end of January, 2015. [4]
Spectral Database for Organic Compounds National Institute of Advanced Industrial Science and Technology (AIST), Japan Organic compounds Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool
Software from Wiley with applications for mass spectrometry including: spectral analysis, database searching (spectrum, structure, peak, property, MS Adaptive Search, etc.), processing, database building (MS or multiple techniques including IR, Raman, NMR, UV, Chromatograms), spectral subtraction, plus tools for reporting and ChemWindow ...
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]
Software Author, creator Operating system First public release Latest stable version Cost in USD License External link cuteNMR Linux, macOS, Windows: November 9, 2010
Learn how to download and install or uninstall the Desktop Gold software and if your computer meets the system requirements.
The Collaborative Computing project for NMR spectroscopy was set up in with three main aims; to create a common standard for representing NMR spectroscopy related data, to create a suite of new open-source NMR software packages and to arrange meetings for the NMR community, including conferences, workshops and courses in order to discuss and spread best-practice within the NMR community, for ...