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.
Stores 2D and 3D organic structures and their nuclear magnetic resonance (NMR) spectra. NMRShiftDB is an open-access, open-submission, open-source database. It allows to search spectra, structures and other properties and also for shift prediction of 13C, 1H and other nuclei spectra based on the current database material. NMRShiftDB project is also a valuable tool for teaching and learning the use of structure–property databases in chemistry.
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.
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.
A freely available electronic database containing detailed information about small molecular metabolites found in tea including from different parts of tea plant and different tea products. It is intended to be used for applications in tea metabolomics, discovery of new tea metabolites and general education. The database is designed to contain or link chemical data related to tea. The database (version 1.0) contains 1450 metabolite entries. Each entry contains about 24 data fields with most of the information being devoted to chemical data. Many data fields are hyperlinked to other databases (HMDB, PubChem) and a variety of structure and pathway viewing applets. The TMDB database supports extensive text, chemical structure, NMR data and relational query searches.