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  2. Gas chromatography–mass spectrometry - Wikipedia

    en.wikipedia.org/wiki/Gas_chromatography–mass...

    The use of 70 eV facilitates comparison of generated spectra with library spectra using manufacturer-supplied software or software developed by the National Institute of Standards (NIST-USA). Spectral library searches employ matching algorithms such as Probability Based Matching [ 13 ] and dot-product [ 14 ] matching that are used with methods ...

  3. Golm Metabolome Database - Wikipedia

    en.wikipedia.org/wiki/Golm_Metabolome_Database

    However, the majority of MSTs currently measured in plant metabolomic profiling experiments remains unidentified due to the lack of authenticated pure reference substances and the expensive and time-consuming effort to maintain mass spectral RI libraries required for compound identification by GC-MS.

  4. List of mass spectrometry software - Wikipedia

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

    NIST created this software for GC/MS data in various formats. It deconvolutes coeluting mass spectra, displays mass chromatograms, calculates retention indexes, allows for target compound libraries, and will export spectra to the NISMS Mass Spectral Search Program. Analyst Proprietary

  5. OpenChrom - Wikipedia

    en.wikipedia.org/wiki/OpenChrom

    OpenChrom is an open source software for the analysis and visualization of mass spectrometric and chromatographic data. [4] Its focus is to handle native data files from several mass spectrometry systems (e.g. GC/MS, LC/MS, Py-GC/MS, HPLC-MS), vendors like Agilent Technologies, Varian, Shimadzu, Thermo Fisher, PerkinElmer and others.

  6. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    NIST Webbook NIST Chemistry Webbook National Institute of Standards and Technology: spectra CAS ionization energy mass spectrum, InChI C+CAS "NIST Webbook". NMRShiftDB University of Cologne: organic nuclear magnetic resonance spectra "NMRShiftDB". 43,581 NORMAN SLE NORMAN Suspect List Exchange environmental monitoring "NORMAN SLE". 110,000 OMG

  7. Kovats retention index - Wikipedia

    en.wikipedia.org/wiki/Kovats_retention_index

    The Kovats index applies to organic compounds.The method interpolates peaks between bracketing n-alkanes.The Kovats index of n-alkanes is 100 times their carbon number, e.g. the Kovats index of n-butane is 400.

  8. Mass spectrometry data format - Wikipedia

    en.wikipedia.org/wiki/Mass_spectrometry_data_format

    Mass spectrometry is a scientific technique for measuring the mass-to-charge ratio of ions. It is often coupled to chromatographic techniques such as gas-or liquid chromatography and has found widespread adoption in the fields of analytical chemistry and biochemistry where it can be used to identify and characterize small molecules and proteins ().

  9. Gas chromatography - Wikipedia

    en.wikipedia.org/wiki/Gas_chromatography

    Mass spectrometer (MS), also called GC-MS; highly effective and sensitive, even in a small quantity of sample. This detector can be used to identify the analytes in chromatograms by their mass spectrum. [14] Some GC-MS are connected to an NMR spectrometer which acts as a backup detector. This combination is known as GC-MS-NMR.