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An open-source software is required that easily and rapidly calculates from mass spectra of labelled metabolites, derivatives and their fragments global isotope excess and isotopomer distribution.<\/jats:p>\n          <\/jats:sec>\n          <jats:sec>\n            <jats:title>Results<\/jats:title>\n            <jats:p>The open-source software \u201cLeast Square Mass Isotopomer Analyzer\u201d (LS-MIDA) is presented that processes experimental mass spectrometry (MS) data on the basis of metabolite information such as the number of atoms in the compound, mass to charge ratio (m\/e or m\/z) values of the compounds and fragments under study, and the experimental relative MS intensities reflecting the enrichments of isotopomers in <jats:sup>13<\/jats:sup>C- or <jats:sup>15<\/jats:sup>\u2009N-labelled compounds, in comparison to the natural abundances in the unlabelled molecules. The software uses Brauman\u2019s least square method of linear regression. As a result, global isotope enrichments of the metabolite or fragment under study and the molar abundances of each isotopomer are obtained and displayed.<\/jats:p>\n          <\/jats:sec>\n          <jats:sec>\n            <jats:title>Conclusions<\/jats:title>\n            <jats:p>The new software provides an open-source platform that easily and rapidly converts experimental MS patterns of labelled metabolites into isotopomer enrichments that are the basis for subsequent observation-driven analysis of pathways and fluxes, as well as for model-driven metabolic flux calculations.<\/jats:p>\n          <\/jats:sec>","DOI":"10.1186\/1471-2105-14-218","type":"journal-article","created":{"date-parts":[[2013,7,9]],"date-time":"2013-07-09T20:14:23Z","timestamp":1373400863000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":19,"title":["Software LS-MIDA for efficient mass isotopomer distribution analysis in metabolic modelling"],"prefix":"10.1186","volume":"14","author":[{"given":"Zeeshan","family":"Ahmed","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Saman","family":"Zeeshan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Claudia","family":"Huber","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michael","family":"Hensel","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dietmar","family":"Schomburg","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Richard","family":"M\u00fcnch","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wolfgang","family":"Eisenreich","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Thomas","family":"Dandekar","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2013,7,9]]},"reference":[{"key":"5983_CR1","doi-asserted-by":"publisher","first-page":"209","DOI":"10.1186\/1471-2105-6-209","volume":"6","author":"Z Nicola","year":"2005","unstructured":"Nicola Z, Eliane F, Uwe S: FiatFlux - a software for metabolic flux analysis from 13C-glucose experiments. 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