{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,5]],"date-time":"2026-04-05T02:36:06Z","timestamp":1775356566941,"version":"3.50.1"},"reference-count":4,"publisher":"Oxford University Press (OUP)","issue":"19","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2010,10,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Motivation: High mass accuracy is an important goal in liquid chromatography\u2013mass spectrometry experiments. Some manufacturers employ a mass calibration system that regularly switches between the analyte and a standard reference compound, and leads to gaps in the analyte data. We present a method for correction of such gaps in global molecular profiling applications such as metabolomics. We demonstrate that it improves peak detection and quantification, successfully recovering the expected number of peaks and intensity distribution in an example metabolomics dataset.<\/jats:p>\n               <jats:p>Availability and implementation: Available in XCMS versions 1.23.3 and higher. Distributed via Bioconductor under GNU General Public License. (http:\/\/www.bioconductor.org\/packages\/\/2.7\/bioc\/html\/xcms.html)<\/jats:p>\n               <jats:p>Contact: \u00a0hpaul.benton08@imperial.ac.uk; hpbenton@gmail.com; t.ebbels@imperial.ac.uk<\/jats:p>\n               <jats:p>Supplementary information: \u00a0Supplementary data are available at Bioinformatics online.<\/jats:p>","DOI":"10.1093\/bioinformatics\/btq441","type":"journal-article","created":{"date-parts":[[2010,7,30]],"date-time":"2010-07-30T02:42:33Z","timestamp":1280457753000},"page":"2488-2489","source":"Crossref","is-referenced-by-count":197,"title":["Correction of mass calibration gaps in liquid chromatography\u2013mass spectrometry metabolomics data"],"prefix":"10.1093","volume":"26","author":[{"given":"H. Paul","family":"Benton","sequence":"first","affiliation":[{"name":"Biomolecular Medicine, Department of Surgery and Cancer, Faculty of Medicine, Sir Alexander Fleming Building, Imperial College London, London, SW7 2AZ, UK"}]},{"given":"Elizabeth J.","family":"Want","sequence":"additional","affiliation":[{"name":"Biomolecular Medicine, Department of Surgery and Cancer, Faculty of Medicine, Sir Alexander Fleming Building, Imperial College London, London, SW7 2AZ, UK"}]},{"given":"Timothy M. D.","family":"Ebbels","sequence":"additional","affiliation":[{"name":"Biomolecular Medicine, Department of Surgery and Cancer, Faculty of Medicine, Sir Alexander Fleming Building, Imperial College London, London, SW7 2AZ, UK"}]}],"member":"286","published-online":{"date-parts":[[2010,7,29]]},"reference":[{"key":"2023012508172584800_B1","volume-title":"The Mass Spectrometry Primer.","author":"Balogh","year":"2009"},{"key":"2023012508172584800_B2","doi-asserted-by":"crossref","first-page":"634","DOI":"10.1093\/bioinformatics\/btk039","article-title":"MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data","volume":"22","author":"Katajamaa","year":"2006","journal-title":"Bioinformatics"},{"key":"2023012508172584800_B3","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1021\/ac051437y","article-title":"XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification","volume":"78","author":"Smith","year":"2006","journal-title":"Anal. Chem."},{"key":"2023012508172584800_B4","doi-asserted-by":"crossref","first-page":"504","DOI":"10.1186\/1471-2105-9-504","article-title":"Highly sensitive feature detection for high resolution LC\/MS","volume":"9","author":"Tautenhahn","year":"2008","journal-title":"BMC Bioinformatics"}],"container-title":["Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/26\/19\/2488\/48857584\/bioinformatics_26_19_2488.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/26\/19\/2488\/48857584\/bioinformatics_26_19_2488.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,1,25]],"date-time":"2023-01-25T08:19:08Z","timestamp":1674634748000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article\/26\/19\/2488\/229139"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,7,29]]},"references-count":4,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2010,10,1]]}},"URL":"https:\/\/doi.org\/10.1093\/bioinformatics\/btq441","relation":{},"ISSN":["1367-4811","1367-4803"],"issn-type":[{"value":"1367-4811","type":"electronic"},{"value":"1367-4803","type":"print"}],"subject":[],"published-other":{"date-parts":[[2010,10,1]]},"published":{"date-parts":[[2010,7,29]]}}}