Nuclear magnetic resonance spectra database

It is common for databases to display line lists graphically in a manner that is similar to how processed spectra might appear.

The processed image has less information that a raw FID but it also take less memory and is easily displayed in browsers and requires no specialty data handling software.

The raw free induction decay data obtained when performing the experiment are stored according to the formatting preferences of the instrument manufacturer.

Some database search methods are commonly available: The following is a partial list of nuclear magnetic resonance spectra databases: Advanced Chemistry Development (ACD/labs)[1] is a chemoinformatics company which produces software for use in handling NMR data and predicting NMR spectra.

The Biological Magnetic Resonance Data Bank (BioMagResBank or BMRB) is sponsored by the Department of Biochemistry at the University of Wisconsin–Madison; it is dedicated to Proteins, Peptides, Nucleic Acids, and other Biomolecules.

Wiley offers a comprehensive collection of spectral data, including their Sadtler standard spectra.

Access to the database could be purchased piecemeal or leased as the entire library through individual or group contracts.

The data are accessed via the Internet using a Java interface and are stored in a server developed jointly with BASF.

Access to the databases is available to subscribers either as NMR only or combined with mass spectrometry and FT-IR data.

The Spectral Database for Organic Compounds (SDBS) is developed and maintained by Japan's National Institute of Advanced Industrial Science and Technology.

Annotation is achieved by a list of the chemical shifts correlated to letters which are also used to label a molecular line drawing.