{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T08:57:45Z","timestamp":1762505865298},"reference-count":7,"publisher":"Oxford University Press (OUP)","issue":"5","license":[{"start":{"date-parts":[[2016,10,2]],"date-time":"2016-10-02T00:00:00Z","timestamp":1475366400000},"content-version":"vor","delay-in-days":1726,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/3.0"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2012,3,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Motivation: Liquid chromatography\u2013mass spectrometry (LC\/MS) is a key technique in metabolomics. Since the efficient assignment of MS signals to true biological metabolites becomes feasible in combination with in vivo stable isotopic labelling, our aim was to provide a new software tool for this purpose.<\/jats:p>\n               <jats:p>Results: An algorithm and a program (MetExtract) have been developed to search for metabolites in in vivo labelled biological samples. The algorithm makes use of the chromatographic characteristics of the LC\/MS data and detects MS peaks fulfilling the criteria of stable isotopic labelling. As a result of all calculations, the algorithm specifies a list of m\/z values, the corresponding number of atoms of the labelling element (e.g. carbon) together with retention time and extracted adduct-, fragment- and polymer ions. Its function was evaluated using native 12C- and uniformly 13C-labelled standard substances.<\/jats:p>\n               <jats:p>Availability: MetExtract is available free of charge and warranty at http:\/\/code.google.com\/p\/metextract\/. Precompiled executables are available for Windows operating systems.<\/jats:p>\n               <jats:p>Contact: \u00a0rainer.schuhmacher@boku.ac.at<\/jats:p>\n               <jats:p>Supplementary information: \u00a0Supplementary data are available at Bioinformatics online.<\/jats:p>","DOI":"10.1093\/bioinformatics\/bts012","type":"journal-article","created":{"date-parts":[[2012,1,12]],"date-time":"2012-01-12T03:10:30Z","timestamp":1326337830000},"page":"736-738","source":"Crossref","is-referenced-by-count":64,"title":["MetExtract: a new software tool for the automated comprehensive extraction of metabolite-derived LC\/MS signals in metabolomics research"],"prefix":"10.1093","volume":"28","author":[{"given":"Christoph","family":"Bueschl","sequence":"first","affiliation":[{"name":"1 Center for Analytical Chemistry, Department for Agrobiotechnology (IFA-Tulln), University of Natural Resources and Life Sciences Vienna, Konrad Lorenz Strasse 20, 3430 Tulln and 2School of Informatics, Communications and Media, University of Applied Sciences, Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria"},{"name":"1 Center for Analytical Chemistry, Department for Agrobiotechnology (IFA-Tulln), University of Natural Resources and Life Sciences Vienna, Konrad Lorenz Strasse 20, 3430 Tulln and 2School of Informatics, Communications and Media, University of Applied Sciences, Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria"}]},{"given":"Bernhard","family":"Kluger","sequence":"additional","affiliation":[{"name":"1 Center for Analytical Chemistry, Department for Agrobiotechnology (IFA-Tulln), University of Natural Resources and Life Sciences Vienna, Konrad Lorenz Strasse 20, 3430 Tulln and 2School of Informatics, Communications and Media, University of Applied Sciences, Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria"}]},{"given":"Franz","family":"Berthiller","sequence":"additional","affiliation":[{"name":"1 Center for Analytical Chemistry, Department for Agrobiotechnology (IFA-Tulln), University of Natural Resources and Life Sciences Vienna, Konrad Lorenz Strasse 20, 3430 Tulln and 2School of Informatics, Communications and Media, University of Applied Sciences, Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria"}]},{"given":"Gerald","family":"Lirk","sequence":"additional","affiliation":[{"name":"1 Center for Analytical Chemistry, Department for Agrobiotechnology (IFA-Tulln), University of Natural Resources and Life Sciences Vienna, Konrad Lorenz Strasse 20, 3430 Tulln and 2School of Informatics, Communications and Media, University of Applied Sciences, Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria"}]},{"given":"Stephan","family":"Winkler","sequence":"additional","affiliation":[{"name":"1 Center for Analytical Chemistry, Department for Agrobiotechnology (IFA-Tulln), University of Natural Resources and Life Sciences Vienna, Konrad Lorenz Strasse 20, 3430 Tulln and 2School of Informatics, Communications and Media, University of Applied Sciences, Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria"}]},{"given":"Rudolf","family":"Krska","sequence":"additional","affiliation":[{"name":"1 Center for Analytical Chemistry, Department for Agrobiotechnology (IFA-Tulln), University of Natural Resources and Life Sciences Vienna, Konrad Lorenz Strasse 20, 3430 Tulln and 2School of Informatics, Communications and Media, University of Applied Sciences, Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria"}]},{"given":"Rainer","family":"Schuhmacher","sequence":"additional","affiliation":[{"name":"1 Center for Analytical Chemistry, Department for Agrobiotechnology (IFA-Tulln), University of Natural Resources and Life Sciences Vienna, Konrad Lorenz Strasse 20, 3430 Tulln and 2School of Informatics, Communications and Media, University of Applied Sciences, Upper Austria, Softwarepark 11, 4232 Hagenberg, Austria"}]}],"member":"286","published-online":{"date-parts":[[2012,1,11]]},"reference":[{"key":"2023012512202538200_B1","doi-asserted-by":"crossref","DOI":"10.1007\/978-0-387-79054-1","volume-title":"Introductory Statistics with R.","author":"Dalgaard","year":"2008"},{"key":"2023012512202538200_B2","doi-asserted-by":"crossref","first-page":"6546","DOI":"10.1021\/ac900979e","article-title":"13Cisotope-labeled metabolomes allowing for improved compound annotation and relative quantification in liquid chromatography-mass spectrometry-based metabolomic research","volume":"81","author":"Giavalisco","year":"2009","journal-title":"Anal. Chem."},{"key":"2023012512202538200_B3","doi-asserted-by":"crossref","DOI":"10.1007\/978-0-387-84858-7","volume-title":"The Elements of Statistical Learning: Data Mining, Inference, and Prediction.","author":"Hastie","year":"2009"},{"key":"2023012512202538200_B4","author":"Jong","year":"2011","journal-title":"Iroa makes Metabolic Profiling Easy."},{"key":"2023012512202538200_B5","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1016\/j.aca.2008.04.043","article-title":"Interferences and contaminants encountered in modern mass spectrometry","volume":"627","author":"Keller","year":"2008","journal-title":"Anal. Chim. 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