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  2. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    "Emergency response guidebook" (PDF). 3000 UV/VIS Spectral Atlas The MPI-Mainz UV/VIS spectral atlas of gaseous molecules of atmospheric interest Max Planck Institute for Chemistry: gaseous molecules absorption cross sections from literature "UV/VIS Spectral Atlas". 7313 YMDB Yeast Metabolome Database The Metabolomics Innovation Centre

  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. Tetrahydrofuran (data page) - Wikipedia

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

    Download as PDF; Printable version; In other projects ... Spectral data. UV-Vis; ... "NIST Standard Reference Database". National Institute of Standards and ...

  5. Chemical database - Wikipedia

    en.wikipedia.org/wiki/Chemical_database

    A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.

  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. 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. Acetaldehyde (data page) - Wikipedia

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

    5 Spectral data. 6 References. ... Download as PDF; Printable version; In other projects ... This page was last edited on 11 April 2023, ...

  9. 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 ...