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  2. 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

  3. OpenChrom - Wikipedia

    en.wikipedia.org/wiki/OpenChrom

    The aim of OpenChrom is to support a wide range of different mass spectrometry data formats natively. [12] OpenChrom takes care that the raw data files can't be modified according to the good laboratory practice. To help scientists OpenChrom supports several open formats to import and export the analysis results. In addition, OpenChrom offers ...

  4. Mass spectrometry - Wikipedia

    en.wikipedia.org/wiki/Mass_spectrometry

    Mass spectrometry (MS) is an analytical technique that is used to measure the mass-to-charge ratio of ions.The results are presented as a mass spectrum, a plot of intensity as a function of the mass-to-charge ratio.

  5. METLIN - Wikipedia

    en.wikipedia.org/wiki/METLIN

    The METLIN-MRM transition repository for small-molecule quantitative tandem mass spectrometry was designed to facilitate data sharing across different instruments and laboratories. [13] The METLIN database is implemented in the cloud to enable users throughout the world.

  6. Mass spectrometry data format - Wikipedia

    en.wikipedia.org/wiki/Mass_spectrometry_data_format

    The Analytical Data Interchange Format for Mass Spectrometry is a format for exchanging data. Many mass spectrometry software packages can read or write ANDI files. ANDI is specified in the ASTM E1947 Standard. [4] ANDI is based on netCDF which is a software tool library for writing and reading data files.

  7. SIRIUS (software) - Wikipedia

    en.wikipedia.org/wiki/SIRIUS_(software)

    The name is an akronym resulting from this original purpose: Sum formula Identification by Ranking Isotope patterns Using mass Spectrometry. In 2008 the group introduced the concept of fragmentation trees [2] for identification of the molecular formula based on fragmentation mass spectrometry data, also called tandem MS or MS2 data.

  8. OpenMS - Wikipedia

    en.wikipedia.org/wiki/OpenMS

    OpenMS provides a set of over 100 different executable tools than can be chained together into pipelines for mass spectrometry data analysis (the TOPP Tools). It also provides visualization tools for spectra and chromatograms (1D), mass spectrometric heat maps (2D m/z vs RT ) as well as a three-dimensional visualization of a mass spectrometry ...

  9. Mascot (software) - Wikipedia

    en.wikipedia.org/wiki/Mascot_(software)

    Mascot is a software search engine that uses mass spectrometry data to identify proteins from peptide sequence databases. [ 1 ] [ 2 ] Mascot is widely used by research facilities around the world. Mascot uses a probabilistic scoring algorithm for protein identification that was adapted from the MOWSE algorithm.