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  2. XCMS Online - Wikipedia

    en.wikipedia.org/wiki/XCMS_Online

    XCMS introduced the concept of nonlinear retention time alignment that allowed for the statistical assessment of the detected peaks across LCMS and GCMS datasets. [1] XCMS Online [4] was designed to facilitate XCMS analyses through a cloud portal and as a more straightforward [5] (non command driven) way to analyze, visualize and share ...

  3. 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]

  4. 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.

  5. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    Global Substance Registration System: CAS PubChem ChEMBL INN UNII "G-SRS". 109,260 GMD Golm Metabolome Database GC/MS of metabolites "GMD". Guide to PHARMACOLOGY IUPHAR: drugs and targets INN CAS ChEBI ChEMBL DrugBank PubChem "Guide to PHARMACOLOGY". Henry's law constants Max Planck Institute for Chemistry: volatile compounds Henry's law constants

  6. 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.

  7. GCMS - Wikipedia

    en.wikipedia.org/wiki/GCMS

    GCMS may refer to: Gas chromatography–mass spectrometry , an analytical method to identify different substances within a test sample Gibson City-Melvin-Sibley Community Unit School District 5 , a K–12 public school district based in Gibson City, Illinois

  8. Triple quadrupole mass spectrometer - Wikipedia

    en.wikipedia.org/wiki/Triple_quadrupole_mass...

    Paul Patent 2939952 Fig5. Essentially the triple quadrupole mass spectrometer operates under the same principle as the single quadrupole mass analyzer.Each of the two mass filters (Q1 and Q3) contains four parallel, cylindrical metal rods.

  9. Pyrolysis GC/MS chromatogram of mahogany wood analyzed with OpenChrom. Pyrolysis–gas chromatography–mass spectrometry is a method of chemical analysis in which the sample is heated to decomposition to produce smaller molecules that are separated by gas chromatography and detected using mass spectrometry. [1] [2]