Mass Spectral Database
Source: ChemSW, Inc.
This NIST/EPA/NIW mass spectral database has approximately 130,000 spectra of over 108,000 different compounds, and each compound has
ChemSW, Inc.PA/NIW mass spectral database has approximately 130,000 spectra of over 108,000 different compounds, and each compound has a structure associated with it. This database has the ability to add structures to user libraries from MOL files. With MS Interpreter, this software allows for the illustration of the fragmentation of a structure compared to observed peaks in the mass spectrum. It also has AMDIS, a utility that analyzes GC/ and LC/MS data files to determine clean spectra for even complex coelutions of trace quantities.
The NIST mass spectral search program features:
- Multiple options under the Identity and Similarity Search algorithms including identification through Neutral Loss Logic
- Ability to create multiple User libraries that can be searched along with the NIST/EPA/NIH Main and Selected Replicates Databases
- Ability to query the Database by hundreds-of-thousands of common names
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