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2. List of chemical databases - Wikipedia

   en.wikipedia.org/wiki/List_of_chemical_databases

   from 275 data sources "ChemSpider". 88,000,000 ChemIndex: chemical database substances CAS Search; suppliers "Chemindex". Clival Database Clinical Trail Database Clinical Trail Data Solutions 50,000 molecules clinical trail data Phase 0 to IV indications "clival". CMNPD Comprehensive Marine Natural Products Database Peking University

3. List of mass spectrometry software - Wikipedia

   en.wikipedia.org/wiki/List_of_mass_spectrometry...

   Web-based mass spectral database that comprises a collection of high and low resolution tandem mass spectrometry data acquired under a number of experimental conditions. MZmine Open source: An open-source software for mass spectrometry data processing, with the main focus on LC-MS data. OmicsHub Proteomics

4. Acetaldehyde (data page) - Wikipedia

   en.wikipedia.org/wiki/Acetaldehyde_(data_page)

   Spectral data. UV-Vis; ... "NIST Standard Reference Database". National Institute of Standards and Technology. ... This page was last edited on 11 April 2023, at 14: ...

5. Chloroform (data page) - Wikipedia

   en.wikipedia.org/wiki/Chloroform_(data_page)

   Spectral data. UV-Vis; ... "NIST Standard Reference Database". National Institute of Standards and Technology. ... This page was last edited on 14 June 2023, at 22:12 ...

6. Nuclear magnetic resonance spectra database - Wikipedia

   en.wikipedia.org/wiki/Nuclear_magnetic_resonance...

   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 ...

7. SIRIUS (software) - Wikipedia

   en.wikipedia.org/wiki/SIRIUS_(software)

   SIRIUS is a Java-based open-source software for the identification of small molecules from fragmentation mass spectrometry data without the use of spectral libraries. It combines the analysis of isotope patterns in MS1 spectra with the analysis of fragmentation patterns in MS2 spectra. SIRIUS is the umbrella application comprising CSI:FingerID ...

8. Spectral line ratios - Wikipedia

   en.wikipedia.org/wiki/Spectral_line_ratios

   The analysis of line intensity ratios is an important tool to obtain information about laboratory and space plasmas. In emission spectroscopy, the intensity of spectral lines can provide various information about the plasma (or gas) condition. It might be used to determine the temperature or density of the plasma. Since the measurement of an ...

9. METLIN - Wikipedia

   en.wikipedia.org/wiki/METLIN

   The METLIN Metabolite and Chemical Entity Database [1] [2] [3] is the largest repository of experimental tandem mass spectrometry [4] and neutral loss [5] data acquired from standards.