{"id":534,"date":"2018-10-15T13:03:35","date_gmt":"2018-10-15T13:03:35","guid":{"rendered":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/?p=534"},"modified":"2019-07-08T09:11:24","modified_gmt":"2019-07-08T09:11:24","slug":"mobilising-ion-mobility-mass-spectrometry-for-metabolomics","status":"publish","type":"post","link":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/2018\/10\/15\/mobilising-ion-mobility-mass-spectrometry-for-metabolomics\/","title":{"rendered":"Mobilising ion mobility mass spectrometry for metabolomics"},"content":{"rendered":"<p>Chromatography-based mass spectrometry approaches (xC-MS) are commonly used in untargeted metabolomics, providing retention time,\u00a0<em>m<\/em>\/<em>z<\/em>\u00a0values and metabolite-specific fragments, all of which are used to identify and validate an unknown analyte. Ion mobility-mass spectrometry (IM-MS) is emerging as an enhancement to classic xC-MS strategies, by offering additional ion separation as well as collision cross section (CCS) determination. In order to apply such an approach to a metabolomics workflow, verified data from metabolite standards is necessary. In this work we present experimental\u00a0<small><sup>DT<\/sup><\/small>CCS<small><sub>N<small>2<\/small><\/sub><\/small>\u00a0values for a range of metabolites in positive and negative ionisation modes using drift tube-ion mobility-mass spectrometry (DT-IM-MS) with nitrogen as the buffer gas. The value of\u00a0<small><sup>DT<\/sup><\/small>CCS<small><sub>N<small>2<\/small><\/sub><\/small>\u00a0measurements for application in metabolite identification relies on a robust technique that acquires measurements of high reproducibility. We report that the CCS values found for 86% of metabolites measured in replicate have a relative standard deviation lower than 0.2%. Examples of metabolites with near identical mass are demonstrated to be separated by ion mobility with over 4% difference in\u00a0<small><sup>DT<\/sup><\/small>CCS<small><sub>N<small>2<\/small><\/sub><\/small>\u00a0values. We conclude that the integration of ion mobility into current LC-MS workflows can aid in small molecule identification for both targeted and untargeted metabolite screening.<\/p>\n<p><a href=\"https:\/\/doi.org\/10.1039\/C8AN00902C\">https:\/\/doi.org\/10.1039\/C8AN00902C<\/a><\/p>\n<p><img data-recalc-dims=\"1\" loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-536\" src=\"https:\/\/i0.wp.com\/www.mbc.manchester.ac.uk\/barrangroup\/wp-content\/uploads\/sites\/2\/2018\/10\/c8an00902c-f4.gif?resize=567%2C360&#038;ssl=1\" alt=\"\" width=\"567\" height=\"360\" \/><\/p>\n<p><em><span class=\"bold\">Eleanor Sinclair\u00a0<\/span>,\u00a0<span class=\"bold\">Katherine A. Hollywood\u00a0<\/span>,\u00a0<span class=\"bold\">Cunyu Yan\u00a0<\/span>,\u00a0<span class=\"bold\">Richard Blankley\u00a0<\/span>,\u00a0<span class=\"bold\">Rainer Breitling\u00a0<\/span><span class=\"bold\">\u00a0and\u00a0<\/span><span class=\"bold\">Perdita Barran\u00a0<\/span><\/em><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Chromatography-based mass spectrometry approaches (xC-MS) are commonly used in untargeted metabolomics, providing retention time,\u00a0m\/z\u00a0values and metabolite-specific fragments, all of which are used to identify and validate an unknown analyte. Ion mobility-mass spectrometry (IM-MS) is emerging as an enhancement to classic xC-MS strategies, by offering additional ion separation as well as collision cross section (CCS) determination. &hellip; <\/p>\n<p><a class=\"more-link btn\" href=\"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/2018\/10\/15\/mobilising-ion-mobility-mass-spectrometry-for-metabolomics\/\">Continue reading<\/a><\/p>\n","protected":false},"author":2,"featured_media":535,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"jetpack_post_was_ever_published":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":true,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[3],"tags":[],"class_list":["post-534","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-publications","item-wrap"],"jetpack_publicize_connections":[],"jetpack_featured_media_url":"https:\/\/i0.wp.com\/www.mbc.manchester.ac.uk\/barrangroup\/wp-content\/uploads\/sites\/2\/2018\/10\/c8an00902c-f2.gif?fit=567%2C199&ssl=1","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/p4Adwh-8C","_links":{"self":[{"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/posts\/534","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/comments?post=534"}],"version-history":[{"count":2,"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/posts\/534\/revisions"}],"predecessor-version":[{"id":538,"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/posts\/534\/revisions\/538"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/media\/535"}],"wp:attachment":[{"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/media?parent=534"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/categories?post=534"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.mbc.manchester.ac.uk\/barrangroup\/wp-json\/wp\/v2\/tags?post=534"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}