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        "description": "An emzed2 application for LC-MS data acquired with Orbitrap high mass resolution instruments.\n\nThe application allows untargeted extraction of metabolites based on isotope dilution \nmass spectrometry (IDMS) method. For each metabolite a pair of an natural labeled [12C] and an \nuniformly 13C labeled [13C] isotopologue is present in the same sample, since the sample is a \nmixture of respective cell extracts. \nAs unlabeled and labeled isotopologues have the same physicochemical properties, the corresponding \nLC-MS peaks will co-elute and the m/z difference equals \n\nn* (mz.C13 - mz.C12)*z \n \nwhere n corresponds to the number of the metabolite carbon atoms,\nmz.c12 is the m/z of the 12C isotope, mz.C13 equals the m/z of the correpsonding 13C isotope, \nand z is the charge state of the ions. \nIn addition, untargeted metabolite extraction is not only based on analysis of an IDMS sample, \nbut also on individual LC-MS measurements of the corresponding [12C] and the [13C] extracts, \nrespectively. Separate analysis allows direct assignment of isotopologue identity ([12C], [13C]) \nin the IDMS sample. \nOverall, this approach significantly reduces the number of false positive metabolites \nand enhances metabolite annotation as the number carbon atoms can be determined from the \nisotopologue mass distances.",
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        "summary": "An APP for untargeted feature extraction from isotope dilution metabolomics data.",
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