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  2. Golm Metabolome Database - Wikipedia

    en.wikipedia.org/wiki/Golm_Metabolome_Database

    Batch processing is enabled via Simple Object Access Protocol (SOAP)-based web services while web-based data access services expose particular data base entities adapting Representational State Transfer (ReST) principles and mass spectral standards such as NIST-MSP and JCAMP-DX. The GMD visualise quantitative metabolite pool size changes data.

  3. List of mass spectrometry software - Wikipedia

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

    AnalyzerPro is a vendor-independent software application from SpectralWorks for processing mass spectrometry data. It can process both GC-MS and LC-MS data using qualitative and quantitative data processing and is used in metabolomics with MatrixAnalyzer for the comparison of multiple data sets.

  4. 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.

  5. 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

  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. Gas chromatography–mass spectrometry - Wikipedia

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

    GC–MS is used for the analysis of unknown organic compound mixtures. One critical use of this technology is the use of GC–MS to determine the composition of bio-oils processed from raw biomass. [29] GC–MS is also utilized in the identification of continuous phase component in a smart material, magnetorheological (MR) fluid. [30]

  8. Human Metabolome Database - Wikipedia

    en.wikipedia.org/wiki/Human_Metabolome_Database

    Human Metabolome Database; Content; Description: Metabolomics database: Data types captured: Human metabolite structures, metabolite descriptions, metabolite reactions, metabolite enzymes and transporters, human enzyme and transporter sequences, human metabolic pathways, normal and abnormal metabolite concentrations in humans, associated diseases, chemical properties, nomenclature, synonyms ...

  9. Chromatography software - Wikipedia

    en.wikipedia.org/wiki/Chromatography_software

    Chromatography software is called also Chromatography Data System. [1] It is located in the data station of the modern liquid, gas or supercritical fluid chromatographic systems. This is a dedicated software connected to an hardware interface within the chromatographic system, which serves as a central hub for collecting, analyzing, and ...