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 data pertaining to biologically relevant small molecules from a variety of species. MMCD is a resource that contains information on more than 20,000 metabolites and other small molecules of biological interest chosen from entries in such databases as KEGG, BioCyc, CHEBI, HMDB, UM-BBD and PDB. The database is compatible with both nuclear magnetic resonance (NMR) and mass spectrometry (MS) data (singly or in combination) and facilitates high-throughput metabolomics investigations.
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.
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.
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