{"id":"https://openalex.org/W2163587256","doi":"https://doi.org/10.1093/bioinformatics/btr079","title":"Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets","display_name":"Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets","publication_year":2011,"publication_date":"2011-02-16","ids":{"openalex":"https://openalex.org/W2163587256","doi":"https://doi.org/10.1093/bioinformatics/btr079","mag":"2163587256","pmid":"https://pubmed.ncbi.nlm.nih.gov/21325300"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btr079","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btr079","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/27/8/1108/50580148/bioinformatics_27_8_1108.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/27/8/1108/50580148/bioinformatics_27_8_1108.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5015639111","display_name":"Marie Brown","orcid":null},"institutions":[{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]},{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]},{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]},{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["CA","GB","IE"],"is_corresponding":true,"raw_author_name":"Marie Brown","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004776968","display_name":"David C. Wedge","orcid":"https://orcid.org/0000-0002-7572-3196"},"institutions":[{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]},{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]},{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]},{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["CA","GB","IE"],"is_corresponding":false,"raw_author_name":"David C. Wedge","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059684811","display_name":"Royston Goodacre","orcid":"https://orcid.org/0000-0003-2230-645X"},"institutions":[{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]},{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]},{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]},{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]}],"countries":["CA","GB","IE"],"is_corresponding":false,"raw_author_name":"Royston Goodacre","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077370611","display_name":"Douglas B. Kell","orcid":"https://orcid.org/0000-0001-5838-7963"},"institutions":[{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]},{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]},{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]},{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]}],"countries":["CA","GB","IE"],"is_corresponding":false,"raw_author_name":"Douglas B. Kell","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031968879","display_name":"Philip N. Baker","orcid":"https://orcid.org/0000-0002-4592-6427"},"institutions":[{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]},{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]},{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]},{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]}],"countries":["CA","GB","IE"],"is_corresponding":false,"raw_author_name":"Philip N. Baker","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015809298","display_name":"Louise C. Kenny","orcid":"https://orcid.org/0000-0002-9011-759X"},"institutions":[{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]},{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]},{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]},{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]}],"countries":["CA","GB","IE"],"is_corresponding":false,"raw_author_name":"Louise C. Kenny","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057514332","display_name":"Mamas A. Mamas","orcid":"https://orcid.org/0000-0001-9241-8890"},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]},{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]},{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]},{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]}],"countries":["CA","GB","IE"],"is_corresponding":false,"raw_author_name":"Mamas A. Mamas","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030899018","display_name":"Ludwig Neyses","orcid":null},"institutions":[{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]},{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]},{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]},{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]}],"countries":["CA","GB","IE"],"is_corresponding":false,"raw_author_name":"Ludwig Neyses","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5091024912","display_name":"Warwick B. Dunn","orcid":"https://orcid.org/0000-0001-6924-0027"},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]},{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]},{"id":"https://openalex.org/I27577105","display_name":"University College Cork","ror":"https://ror.org/03265fv13","country_code":"IE","type":"education","lineage":["https://openalex.org/I27577105"]},{"id":"https://openalex.org/I2801926401","display_name":"Manchester Royal Infirmary","ror":"https://ror.org/03kr30n36","country_code":"GB","type":"healthcare","lineage":["https://openalex.org/I2801926401","https://openalex.org/I4210092852"]}],"countries":["CA","GB","IE"],"is_corresponding":false,"raw_author_name":"Warwick B. Dunn","raw_affiliation_strings":["1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK"],"affiliations":[{"raw_affiliation_string":"1 School of Biomedicine, The University of Manchester, Manchester M13 9PT, 2School of Chemistry, 3Manchester Centre for Integrative Systems Biology, Manchester Interdisciplinary Biocentre, University of Manchester, Manchester M1 7DN, UK, 4Department of Obstetrics and Gynecology, Faculty of Medicine and Dentistry, University of Alberta, 2J2.01 WMC, Edmonton AB T6G 2R7, Canada, 5The Anu Research Centre, Department of Obstetrics and Gynaecology, University College Cork, Cork University Maternity Hospital, Cork, Ireland, 6Manchester Heart Centre, Central Manchester University Hospitals NHS Foundation Trust, Manchester Royal Infirmary and 7Centre for Advanced Discovery and Experimental Therapeutics, York Place (off Oxford Road), Central Manchester University Hospitals NHS Foundation Trust, Manchester M13 9WL, UK","institution_ids":["https://openalex.org/I28407311","https://openalex.org/I2801926401","https://openalex.org/I27577105","https://openalex.org/I154425047"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5015639111"],"corresponding_institution_ids":["https://openalex.org/I154425047","https://openalex.org/I27577105","https://openalex.org/I2801926401","https://openalex.org/I28407311"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":{"value":3618,"currency":"USD","value_usd":3618},"fwci":10.5387,"has_fulltext":true,"cited_by_count":193,"citation_normalized_percentile":{"value":0.98990572,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"27","issue":"8","first_page":"1108","last_page":"1112"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12073","display_name":"Isotope Analysis in Ecology","score":0.9866999983787537,"subfield":{"id":"https://openalex.org/subfields/2303","display_name":"Ecology"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9848999977111816,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/metabolomics","display_name":"Metabolomics","score":0.7629446983337402},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.7145255208015442},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6343210339546204},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.6154535412788391},{"id":"https://openalex.org/keywords/matching","display_name":"Matching (statistics)","score":0.5885866284370422},{"id":"https://openalex.org/keywords/metabolite","display_name":"Metabolite","score":0.5654541254043579},{"id":"https://openalex.org/keywords/annotation","display_name":"Annotation","score":0.564174234867096},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.525073230266571},{"id":"https://openalex.org/keywords/artifact","display_name":"Artifact (error)","score":0.48949897289276123},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4567706286907196},{"id":"https://openalex.org/keywords/false-positive-paradox","display_name":"False positive paradox","score":0.44976454973220825},{"id":"https://openalex.org/keywords/limiting","display_name":"Limiting","score":0.4348146915435791},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4235136806964874},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2711358070373535},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.21036314964294434},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.20146286487579346},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.19630497694015503},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.14724606275558472},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.09753292798995972}],"concepts":[{"id":"https://openalex.org/C21565614","wikidata":"https://www.wikidata.org/wiki/Q12149006","display_name":"Metabolomics","level":2,"score":0.7629446983337402},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.7145255208015442},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6343210339546204},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.6154535412788391},{"id":"https://openalex.org/C165064840","wikidata":"https://www.wikidata.org/wiki/Q1321061","display_name":"Matching (statistics)","level":2,"score":0.5885866284370422},{"id":"https://openalex.org/C2777477808","wikidata":"https://www.wikidata.org/wiki/Q407595","display_name":"Metabolite","level":2,"score":0.5654541254043579},{"id":"https://openalex.org/C2776321320","wikidata":"https://www.wikidata.org/wiki/Q857525","display_name":"Annotation","level":2,"score":0.564174234867096},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.525073230266571},{"id":"https://openalex.org/C2779010991","wikidata":"https://www.wikidata.org/wiki/Q2720909","display_name":"Artifact (error)","level":2,"score":0.48949897289276123},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4567706286907196},{"id":"https://openalex.org/C64869954","wikidata":"https://www.wikidata.org/wiki/Q1859747","display_name":"False positive paradox","level":2,"score":0.44976454973220825},{"id":"https://openalex.org/C188198153","wikidata":"https://www.wikidata.org/wiki/Q1613840","display_name":"Limiting","level":2,"score":0.4348146915435791},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4235136806964874},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2711358070373535},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.21036314964294434},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.20146286487579346},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.19630497694015503},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14724606275558472},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09753292798995972},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D002853","descriptor_name":"Chromatography, Liquid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002853","descriptor_name":"Chromatography, Liquid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002853","descriptor_name":"Chromatography, Liquid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D002853","descriptor_name":"Chromatography, Liquid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":10,"locations":[{"id":"doi:10.1093/bioinformatics/btr079","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btr079","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/27/8/1108/50580148/bioinformatics_27_8_1108.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:21325300","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21325300","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:pure.atira.dk:openaire/92cecf5a-2290-48d0-a4bf-a9de88f33400","is_oa":true,"landing_page_url":"https://research.manchester.ac.uk/en/publications/92cecf5a-2290-48d0-a4bf-a9de88f33400","pdf_url":null,"source":{"id":"https://openalex.org/S4306400662","display_name":"Research Explorer (The University of Manchester)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I28407311","host_organization_name":"University of Manchester","host_organization_lineage":["https://openalex.org/I28407311"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Brown, M, Wedge, D C, Goodacre, R, Kell, D B, Baker, P N, Kenny, L C, Mamas, M A, Neyses, L & Dunn, W B 2011, 'Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets', Bioinformatics, vol. 27, no. 8, btr079, pp. 1108-1112. https://doi.org/10.1093/bioinformatics/btr079, https://doi.org/10.1093/bioinformatics/btr079","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:eprints.keele.ac.uk:611","is_oa":true,"landing_page_url":"http://eprints.keele.ac.uk/611/1/Automated%20workflows%20for%20accurate%20mass-based%20putative%20metabolite%20identification%20in%20LC/MS-derived%20metabolomic%20datasets..pdf","pdf_url":null,"source":{"id":"https://openalex.org/S4306402149","display_name":"Keele Research Repository (Keele University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I56007636","host_organization_name":"Keele University","host_organization_lineage":["https://openalex.org/I56007636"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"},{"id":"pmh:oai:europepmc.org:2704909","is_oa":false,"landing_page_url":"http://europepmc.org/articles/PMC3709197","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:orbilu.uni.lu:10993/27830","is_oa":true,"landing_page_url":"http://orbilu.uni.lu/handle/10993/27830","pdf_url":null,"source":{"id":"https://openalex.org/S4306401815","display_name":"Open Repository and Bibliography (University of Luxembourg)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I186903577","host_organization_name":"University of Luxembourg","host_organization_lineage":["https://openalex.org/I186903577"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics, 27 (8), 1108-12 (2011)","raw_type":"peer reviewed"},{"id":"pmh:oai:pubmedcentral.nih.gov:3709197","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3709197","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics","raw_type":"Text"},{"id":"pmh:oai:pure.atira.dk:openaire_cris_publications/fb22ab78-5eee-41dd-9f67-f7063ac7cb13","is_oa":false,"landing_page_url":"https://research.birmingham.ac.uk/en/publications/fb22ab78-5eee-41dd-9f67-f7063ac7cb13","pdf_url":null,"source":{"id":"https://openalex.org/S4306402634","display_name":"University of Birmingham Research Portal (University of Birmingham)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I79619799","host_organization_name":"University of Birmingham","host_organization_lineage":["https://openalex.org/I79619799"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Brown, M, Wedge, D C, Goodacre, R, Kell, D B, Baker, P N, Kenny, L C, Mamas, M A, Neyses, L & Dunn, W B 2011, 'Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets', Bioinformatics, vol. 27, no. 8, pp. 1108-12. https://doi.org/10.1093/bioinformatics/btr079","raw_type":"article"},{"id":"pmh:oai:pure.atira.dk:publications/92cecf5a-2290-48d0-a4bf-a9de88f33400","is_oa":true,"landing_page_url":"https://www.scopus.com/inward/record.uri?eid=2-s2.0-79954519624&partnerID=MN8TOARS","pdf_url":null,"source":{"id":"https://openalex.org/S4306400662","display_name":"Research Explorer (The University of Manchester)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I28407311","host_organization_name":"University of Manchester","host_organization_lineage":["https://openalex.org/I28407311"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Brown, M, Wedge, D C, Goodacre, R, Kell, D B, Baker, P N, Kenny, L C, Mamas, M A, Neyses, L & Dunn, W B 2011, 'Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets', Bioinformatics, vol. 27, no. 8, btr079, pp. 1108-1112. https://doi.org/10.1093/bioinformatics/btr079, https://doi.org/10.1093/bioinformatics/btr079","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:pure.atira.dk:publications/fb22ab78-5eee-41dd-9f67-f7063ac7cb13","is_oa":false,"landing_page_url":"https://research.birmingham.ac.uk/portal/en/publications/automated-workflows-for-accurate-massbased-putative-metabolite-identification-in-lcmsderived-metabolomic-datasets(fb22ab78-5eee-41dd-9f67-f7063ac7cb13).html","pdf_url":null,"source":{"id":"https://openalex.org/S4306402634","display_name":"University of Birmingham Research Portal (University of Birmingham)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I79619799","host_organization_name":"University of Birmingham","host_organization_lineage":["https://openalex.org/I79619799"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Brown , M , Wedge , D C , Goodacre , R , Kell , D B , Baker , P N , Kenny , L C , Mamas , M A , Neyses , L & Dunn , W B 2011 , ' Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets ' , Bioinformatics , vol. 27 , no. 8 , pp. 1108-12 . https://doi.org/10.1093/bioinformatics/btr079","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btr079","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btr079","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/27/8/1108/50580148/bioinformatics_27_8_1108.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Responsible consumption and production","score":0.4099999964237213,"id":"https://metadata.un.org/sdg/12"}],"awards":[{"id":"https://openalex.org/G7251638025","display_name":null,"funder_award_id":"BBC0082191","funder_id":"https://openalex.org/F4320334629","funder_display_name":"Biotechnology and Biological Sciences Research Council"}],"funders":[{"id":"https://openalex.org/F4320311904","display_name":"Wellcome Trust","ror":"https://ror.org/029chgv08"},{"id":"https://openalex.org/F4320319985","display_name":"Cancer Research UK","ror":"https://ror.org/054225q67"},{"id":"https://openalex.org/F4320319990","display_name":"National Institute for Health and Care Research","ror":"https://ror.org/0187kwz08"},{"id":"https://openalex.org/F4320332167","display_name":"Directorate for Biological Sciences","ror":"https://ror.org/001xhss06"},{"id":"https://openalex.org/F4320334629","display_name":"Biotechnology and Biological Sciences Research Council","ror":"https://ror.org/00cwqg982"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2163587256.pdf","grobid_xml":"https://content.openalex.org/works/W2163587256.grobid-xml"},"referenced_works_count":34,"referenced_works":["https://openalex.org/W1499832207","https://openalex.org/W1539434924","https://openalex.org/W1611854178","https://openalex.org/W1964010911","https://openalex.org/W1986513133","https://openalex.org/W1986562177","https://openalex.org/W1992970326","https://openalex.org/W2008751190","https://openalex.org/W2009945101","https://openalex.org/W2015503332","https://openalex.org/W2017578869","https://openalex.org/W2052134101","https://openalex.org/W2064535527","https://openalex.org/W2078547650","https://openalex.org/W2088716662","https://openalex.org/W2090719977","https://openalex.org/W2095133506","https://openalex.org/W2099607173","https://openalex.org/W2099694349","https://openalex.org/W2102784281","https://openalex.org/W2109150844","https://openalex.org/W2111369365","https://openalex.org/W2119726180","https://openalex.org/W2131041948","https://openalex.org/W2137585293","https://openalex.org/W2137653635","https://openalex.org/W2139947577","https://openalex.org/W2140181854","https://openalex.org/W2140725120","https://openalex.org/W2140843074","https://openalex.org/W2144678546","https://openalex.org/W2154631167","https://openalex.org/W2155820202","https://openalex.org/W2160317546"],"related_works":["https://openalex.org/W2361861616","https://openalex.org/W2263699433","https://openalex.org/W2377979023","https://openalex.org/W2218034408","https://openalex.org/W2392921965","https://openalex.org/W1557094818","https://openalex.org/W2358755282","https://openalex.org/W42525420","https://openalex.org/W52840052","https://openalex.org/W4283390424"],"abstract_inverted_index":{"warwick.dunn@manchester.ac.uk.":[0]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":10},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":13},{"year":2017,"cited_by_count":16},{"year":2016,"cited_by_count":10},{"year":2015,"cited_by_count":14},{"year":2014,"cited_by_count":30},{"year":2013,"cited_by_count":19},{"year":2012,"cited_by_count":17}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}