When.com Web Search

Search results

  1. Results From The WOW.Com Content Network
  2. Nuclear magnetic resonance spectra database - Wikipedia

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

    The software includes PDF report generation, spectrum prediction (database-trained and/or algorithm based), structure drawing, structure search, spectrum search, text field search, and more. Access to the databases is available to subscribers either as NMR only or combined with mass spectrometry and FT-IR data.

  3. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    Spectral Database for Organic Compounds National Institute of Advanced Industrial Science and Technology (AIST), Japan Organic compounds Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool

  4. Spectral Database for Organic Compounds - Wikipedia

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

    If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]

  5. Biological Magnetic Resonance Data Bank - Wikipedia

    en.wikipedia.org/wiki/Biological_Magnetic...

    The database contains also a smaller amount of NMR data from carbohydrates, cofactors and ligands. [1] These data are crossreferenced to 3D structures in the PDB when available. The NMR data are provided in the NMR-STAR file format and a number of format conversion tools are available at the site to convert files from NMR-STAR to other formats. [1]

  6. Comparison of nuclear magnetic resonance software - Wikipedia

    en.wikipedia.org/wiki/Comparison_of_nuclear...

    Software Author, creator Operating system First public release Latest stable version Cost in USD License External link cuteNMR Linux, macOS, Windows: November 9, 2010

  7. List of mass spectrometry software - Wikipedia

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

    MassMatrix is a database search algorithm for tandem mass spectrometric data. It uses a mass accuracy-sensitive, probabilistic scoring model to rank peptide and protein matches. MassWiz Open source: MassWiz is a search algorithm developed at the Institute of Genomics and Integrative Biology that can be used as a Windows command-line tool.

  8. XDrawChem - Wikipedia

    en.wikipedia.org/wiki/XDrawChem

    Simple spectra predictions, including 13 C-NMR, 1 H-NMR (based on additive rules and functional group lookup methods), and IR [3] Simple property estimation, including p K a , octanol-water partition coefficient , and gas-phase enthalpy change.

  9. RefDB (chemistry) - Wikipedia

    en.wikipedia.org/wiki/RefDB_(chemistry)

    All chemical shifts in RefDB have been computationally re-referenced to DSS (a common NMR chemical shift standard). [1] RefDB is a continuously updated resource that uses web-bots to query public databases (BMRB, GenBank, Protein Data Bank) and fetch assignment, sequence and structure data on a weekly basis.