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NIST Mass Spectral Search v.3.0 Commercial Program: This software contains the NIST/EPA/NIH Mass Spectral Library of electron ionization (EI) and the NIST Tandem Library of product-ion mass spectra in a searchable database. Additional features include the NIST MS Interpreter Program and AMDIS.
Phase behavior Triple point? K (? °C), ? Pa Critical point? K (? °C), ? Pa Std enthalpy change of fusion, Δ fus H o? kJ/mol Std entropy change of fusion, Δ fus S oJ/(mol·K)
Biological Magnetic Resonance Data Bank University of Wisconsin biological molecules including ligands, cofactors, peptides, saccharides NMR spectroscopy "BMRB". BRENDA Technical University of Braunschweig: enzymes ligands "BRENDA". Carotenoids Database carotenoids CA "Carotenoids". 1195 CCCBDB: Computational Chemistry Comparison and Benchmark ...
Peak range or other spectral characteristics — The user numerically enters data related to a spectra of an unknown compound. This data is used to for compounds which share the shifts within specified constraints. This allows users to locate the exact compound or molecules with similar functional groups. Spectra search — Software is used to ...
5 Spectral data. 6 References. ... Download QR code; Print/export Download as PDF; Printable version; ... "NIST Standard Reference Database". National Institute of ...
6 Spectral data. 7 References. ... Download QR code; Print/export Download as PDF; Printable version; ... "NIST Standard Reference Database". National Institute of ...
IMFP data can be collected from the National Institute of Standards and Technology (NIST) Electron Inelastic-Mean-Free-Path Database [13] or the NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA). [14] The data contains IMFPs determined by EPES for energies below 2 keV.
The ChemSpider database can be updated with user contributions including chemical structure deposition, spectra deposition and user curation. This is a crowdsourcing approach to develop an online chemistry database.