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  2. 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

  3. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    Structures, Names and Identifiers, Chemical and Physical Properties, Spectral Information, Related Records, Chemical Vendors, Pharmacology and Biochemistry, Use and Manufacturing, Safety and Hazards, Toxicity, Literature, Patents, Biomolecular Interactions and Pathways, Biological Test Results

  4. 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.

  5. 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: ...

  6. Nuclear magnetic resonance spectra database - Wikipedia

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

    A database that was developed and maintained by the publisher John Wiley & Sons. This database included more than 700,000 NMR, IR and MS Spectra, statistics specific to the NMR spectra are not listed. The NMR data includes 1 H, 13 C, 11 B, 15 N, 17 O, 19 F, 29 Si, and 31 P. The data were in the form of graphically displayed line lists.

  7. 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 ...

  8. SPC file format - Wikipedia

    en.wikipedia.org/wiki/SPC_file_format

    The SPC file format is a file format in which all kinds of spectroscopic data, including among others infrared spectra, Raman spectra and UV/VIS spectra. The format can be regarded as a database with records of variable length and each record stores a different kind of data (instrumental information, information on one spectrum of a dataset ...

  9. SDBS - Wikipedia

    en.wikipedia.org/wiki/SDBS

    Main page; Contents; Current events; Random article; About Wikipedia; Contact us; Help; Learn to edit; Community portal; Recent changes; Upload file