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[10] 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.
Such repositories can be downloaded as self-contained data sets or used online. The form in which the data is stored varies, ranging from line lists that can be graphically displayed to raw free induction decay (FID) data. Data is usually annotated in a way that correlates the spectral data with the related molecular structure.
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 ...
6 Spectral data. 7 References. ... Download as PDF; Printable version; In other projects Wikidata item; ... "NIST Standard Reference Database". National Institute of ...
5 Spectral data. 6 References. ... Download as PDF; Printable version; In other projects Wikidata item; ... "NIST Standard Reference Database". National Institute of ...
The diagrams are named after Walter Grotrian, who introduced them in his 1928 book Graphische Darstellung der Spektren von Atomen und Ionen mit ein, zwei und drei Valenzelektronen [1] ("Graphical representation of the spectra of atoms and ions with one, two and three valence electrons").
Mass spectrometry is a scientific technique for measuring the mass-to-charge ratio of ions. It is often coupled to chromatographic techniques such as gas-or liquid chromatography and has found widespread adoption in the fields of analytical chemistry and biochemistry where it can be used to identify and characterize small molecules and proteins ().
6 Spectral data. 7 References. ... Download as PDF; Printable version; In other projects Wikidata item; ... "NIST Standard Reference Database". National Institute of ...