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  2. Mass spectral interpretation - Wikipedia

    en.wikipedia.org/wiki/Mass_spectral_interpretation

    Mass spectral interpretation is the method employed to identify the chemical formula, characteristic fragment patterns and possible fragment ions from the mass spectra. [1] [2] Mass spectra is a plot of relative abundance against mass-to-charge ratio. It is commonly used for the identification of organic compounds from electron ionization mass ...

  3. List of mass spectrometry software - Wikipedia

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

    The msFineAnalysis AI version for JEOL's GC-time-of-flight mass spectrometers contains a searchable in-silico database of mass spectra calculated for the 100 million structures in the PubChem database. MSGraph Open source: This tool does qualitative analysis of mass spectrometric (MS) data and is hosted by Sourceforge. MSight Freeware

  4. Mass spectrometry - Wikipedia

    en.wikipedia.org/wiki/Mass_spectrometry

    The use of the term mass spectroscopy is now discouraged due to the possibility of confusion with light spectroscopy. [1] [8] Mass spectrometry is often abbreviated as mass-spec or simply as MS. [1] Modern techniques of mass spectrometry were devised by Arthur Jeffrey Dempster and F.W. Aston in 1918 and 1919 respectively.

  5. 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]

  6. 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 ().

  7. Mass spectrum - Wikipedia

    en.wikipedia.org/wiki/Mass_spectrum

    Spectral skewing is the change in relative intensity of mass spectral peaks due to the changes in concentration of the analyte in the ion source as the mass spectrum is scanned. This situation occurs routinely as chromatographic components elute into a continuous ion source. [ 11 ]

  8. Mass chromatogram - Wikipedia

    en.wikipedia.org/wiki/Mass_chromatogram

    A mass chromatogram is a representation of mass spectrometry data as a chromatogram, where the x-axis represents time and the y-axis represents signal intensity. [1] The source data contains mass information; however, it is not graphically represented in a mass chromatogram in favor of visualizing signal intensity versus time.

  9. Sequest - Wikipedia

    en.wikipedia.org/wiki/SEQUEST

    The software evaluates protein sequences from a database to compute the list of peptides that could result from each. The peptide's intact mass is known from the mass spectrum, and Sequest uses this information to determine the set of candidate peptides sequences that could meaningfully be compared to the spectrum by including only those near ...

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