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  2. 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

  3. 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.

  4. Spectral Database for Organic Compounds - Wikipedia

    en.wikipedia.org/wiki/Spectral_Database_for...

    The FT-IR spectra were recorded using a Nicolet 170SX or a JASCO FT/IR-410 spectrometer. For spectra recorded in the Nicolet spectrometer, the data were stored at intervals of 0.5 cm −1 in the 4,000 – 2,000 cm −1 region and of 0.25 cm −1 in the 2,000 – 400 cm −1 region and the spectral resolution was 0.25 cm −1.

  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. 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 ...

  7. 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.

  8. List of mass spectrometry software - Wikipedia

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

    [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.

  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 ...

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