Stores 2D and 3D organic structures and their nuclear magnetic resonance (NMR) spectra. NMRShiftDB is an open-access, open-submission, and open-source database. It allows users to search spectra, structures and other properties. This platform provides a solution permitting users to conduct shift prediction based on the hierarchically ordered spherical environment (HOSE) codes. It is useful for teaching and learning the use of structure-property databases in chemistry.
Provides access to the latest version of high-resolution transmission molecular spectroscopic database. HITRAN offers a compilation of spectroscopic parameters from which a wide variety of computer simulation codes are able to calculate and predict the transmission and emission of radiation in the atmosphere. It was developed to fill the lack of detailed knowledge of infrared properties of the atmosphere.
Provides access to six different types of spectra under a directory of organic compounds. “Spectral Database for Organic Compounds SDBS” contains a major part of commercial chemical reagents into its compounds.
A plant metabolomics platform allowing the storage and visualisation of Nuclear Magnetic Resonance (NMR) metabolic profiles from plants. MeRy-B is a web-based application with either public or private access. It is designed to fill a knowledgebase of curated plant profiles and metabolites obtained by NMR, query and visualize the data, detect biomarkers with spectra visualization and statistical tools, assist in biomarker identification. It contains plant metabolites and unknown compounds lists with information about experimental conditions and metabolite concentrations from several plant species compiled from a thousand of curated annotated NMR profiles on various organs or tissues.
Contains data for radiative transitions and energy levels in atoms and atomic ions. The NIST ASD is a database that provides data included for observed transitions and energy levels of most of the known chemical elements. It includes radiative transition probabilities. For some spectra, ASD includes lists of prominent lines with wavelengths and relative intensities but without energy-level classifications.
Provides access to data from nuclear magnetic resonance (NMR) spectroscopy. BMRB is designed to empower scientists using these data to address questions concerning a variety of macromolecular phenomena. The database consists of: (i) about 4500 entries containing NMR spectral values and derived information, (ii) a relational database for NMR restraints sets, (iii) an archive of multi-dimensional, time-domain NMR data associated with structural studies of proteins and nucleic acids and (iv) a database containing time-domain NMR spectral data, spectral images, spectral peak lists and assigned chemical shifts.