{"id":"https://openalex.org/W7204907144","doi":"https://doi.org/10.1021/acs.analchem.6c03396","title":"Disambiguation of Product Ion Assignments, Including Internal Fragment Ions from Top-Down Mass Spectrometry, Using Ion Mobility-Aligned Fragmentation (MAF)","display_name":"Disambiguation of Product Ion Assignments, Including Internal Fragment Ions from Top-Down Mass Spectrometry, Using Ion Mobility-Aligned Fragmentation (MAF)","publication_year":2026,"publication_date":"2026-08-26","ids":{"openalex":"https://openalex.org/W7204907144","doi":"https://doi.org/10.1021/acs.analchem.6c03396","pmid":"https://pubmed.ncbi.nlm.nih.gov/42708753","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/13564030"},"language":"en","primary_location":{"id":"doi:10.1021/acs.analchem.6c03396","doi":"https://doi.org/10.1021/acs.analchem.6c03396","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.analchem.6c03396","pdf_url":null,"source":{"id":"https://openalex.org/S191963794","display_name":"Analytical Chemistry","issn_l":"0003-2700","issn":["0003-2700","1520-6882"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-a","doyens","jufo-3","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Analytical Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acs.analchem.6c03396","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5006833254","display_name":"Novera Alam","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Novera Alam","raw_affiliation_strings":["Barnett Institute of Chemical and Biological Analysis , , ,","Northeastern University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Barnett Institute of Chemical and Biological Analysis , , ,","institution_ids":[]},{"raw_affiliation_string":"Northeastern University , , , ,","institution_ids":["https://openalex.org/I12912129"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053364462","display_name":"Brad J. Williams","orcid":"https://orcid.org/0000-0003-2235-0450","observed_orcids":["https://orcid.org/0000-0003-2235-0450"]},"institutions":[{"id":"https://openalex.org/I180980256","display_name":"Waters (United States)","ror":"https://ror.org/01h8xv021","country_code":"US","type":"company","lineage":["https://openalex.org/I180980256"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Brad J. Williams","raw_affiliation_strings":["Waters Corporation , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Waters Corporation , , ,","institution_ids":["https://openalex.org/I180980256"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5148848672","display_name":"Michelle Yu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michelle Yu","raw_affiliation_strings":["Barnett Institute of Chemical and Biological Analysis , , ,","Northeastern University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Barnett Institute of Chemical and Biological Analysis , , ,","institution_ids":[]},{"raw_affiliation_string":"Northeastern University , , , ,","institution_ids":["https://openalex.org/I12912129"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5148868288","display_name":"Paul Kowalski","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I180980256","display_name":"Waters (United States)","ror":"https://ror.org/01h8xv021","country_code":"US","type":"company","lineage":["https://openalex.org/I180980256"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Paul Kowalski","raw_affiliation_strings":["Waters Corporation , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Waters Corporation , , ,","institution_ids":["https://openalex.org/I180980256"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005678878","display_name":"Jane\u2010Marie Kowalski","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I180980256","display_name":"Waters (United States)","ror":"https://ror.org/01h8xv021","country_code":"US","type":"company","lineage":["https://openalex.org/I180980256"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jane-Marie Kowalski","raw_affiliation_strings":["Waters Corporation , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Waters Corporation , , ,","institution_ids":["https://openalex.org/I180980256"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5052079094","display_name":"Jeffrey N. Agar","orcid":"https://orcid.org/0000-0003-2645-1873","observed_orcids":["https://orcid.org/0000-0003-2645-1873"]},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Jeffrey N. Agar","raw_affiliation_strings":["Barnett Institute of Chemical and Biological Analysis , , ,","Northeastern University , , , ,"],"raw_orcid":"https://orcid.org/0000-0003-2645-1873","affiliations":[{"raw_affiliation_string":"Barnett Institute of Chemical and Biological Analysis , , ,","institution_ids":[]},{"raw_affiliation_string":"Northeastern University , , , ,","institution_ids":["https://openalex.org/I12912129"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5052079094"],"corresponding_institution_ids":["https://openalex.org/I12912129"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":{"value":4500,"currency":"USD","value_usd":4500},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"98","issue":"35","first_page":"25899","last_page":"25908"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9678000211715698,"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"}},"topics":[{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9678000211715698,"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"}},{"id":"https://openalex.org/T10519","display_name":"Advanced Proteomics Techniques and Applications","score":0.031099999323487282,"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"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":9.999999747378752e-05,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/top-down-mass-spectrometry","display_name":"top-down mass spectrometry","score":0.9520000219345093},{"id":"https://openalex.org/keywords/ion-mobility","display_name":"ion mobility","score":0.574999988079071},{"id":"https://openalex.org/keywords/conformers","display_name":"conformational isomers","score":0.8399999737739563},{"id":"https://openalex.org/keywords/collision-cross-sections","display_name":"collision cross sections","score":0.9860000014305115},{"id":"https://openalex.org/keywords/peptide-fragmentation","display_name":"peptide fragmentation","score":0.5889999866485596},{"id":"https://openalex.org/keywords/sequencing-depth","display_name":"sequencing depth","score":0.6039999723434448}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9212999939918518},{"id":"https://openalex.org/C191015642","wikidata":"https://www.wikidata.org/wiki/Q1132459","display_name":"Fragmentation (computing)","level":2,"score":0.8817999958992004},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.7578999996185303},{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.7189000248908997},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.6847000122070312},{"id":"https://openalex.org/C176107965","wikidata":"https://www.wikidata.org/wiki/Q3710336","display_name":"Collision-induced dissociation","level":4,"score":0.5151000022888184},{"id":"https://openalex.org/C2780522230","wikidata":"https://www.wikidata.org/wiki/Q1140419","display_name":"Ambiguity","level":2,"score":0.49950000643730164},{"id":"https://openalex.org/C40325409","wikidata":"https://www.wikidata.org/wiki/Q2360668","display_name":"Mass spectrum","level":3,"score":0.43849998712539673},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.415800005197525},{"id":"https://openalex.org/C15213710","wikidata":"https://www.wikidata.org/wiki/Q904207","display_name":"Ion-mobility spectrometry","level":3,"score":0.4090999960899353},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.3817000091075897},{"id":"https://openalex.org/C90673727","wikidata":"https://www.wikidata.org/wiki/Q901718","display_name":"Product (mathematics)","level":2,"score":0.37950000166893005},{"id":"https://openalex.org/C2776235265","wikidata":"https://www.wikidata.org/wiki/Q18392052","display_name":"Fragment (logic)","level":2,"score":0.36739999055862427},{"id":"https://openalex.org/C66594872","wikidata":"https://www.wikidata.org/wiki/Q1064242","display_name":"Polyatomic ion","level":3,"score":0.36320000886917114},{"id":"https://openalex.org/C31827203","wikidata":"https://www.wikidata.org/wiki/Q874296","display_name":"Tandem mass spectrometry","level":3,"score":0.33640000224113464},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.3075999915599823},{"id":"https://openalex.org/C2778112365","wikidata":"https://www.wikidata.org/wiki/Q3511065","display_name":"Sequence (biology)","level":2,"score":0.3027999997138977},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.29440000653266907},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.2890999913215637},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.2705000042915344},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.25459998846054077},{"id":"https://openalex.org/C138268822","wikidata":"https://www.wikidata.org/wiki/Q1051925","display_name":"Resolution (logic)","level":2,"score":0.2540000081062317},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.2515000104904175}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.analchem.6c03396","doi":"https://doi.org/10.1021/acs.analchem.6c03396","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.analchem.6c03396","pdf_url":null,"source":{"id":"https://openalex.org/S191963794","display_name":"Analytical Chemistry","issn_l":"0003-2700","issn":["0003-2700","1520-6882"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-a","doyens","jufo-3","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Analytical Chemistry","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13564030","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13564030/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13564030/pdf/ac6c03396.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Anal Chem","raw_type":"Text"},{"id":"pmid:42708753","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42708753","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,"listed_in":[],"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":"Analytical chemistry","raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.1021/acs.analchem.6c03396","doi":"https://doi.org/10.1021/acs.analchem.6c03396","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.analchem.6c03396","pdf_url":null,"source":{"id":"https://openalex.org/S191963794","display_name":"Analytical Chemistry","issn_l":"0003-2700","issn":["0003-2700","1520-6882"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-a","doyens","jufo-3","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Analytical Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7204907144.pdf","grobid_xml":"https://content.openalex.org/works/W7204907144.grobid-xml"},"referenced_works_count":42,"referenced_works":["https://openalex.org/W1019903313","https://openalex.org/W1895025345","https://openalex.org/W1897375905","https://openalex.org/W1944332221","https://openalex.org/W1968144614","https://openalex.org/W1971097535","https://openalex.org/W1976727092","https://openalex.org/W1977168348","https://openalex.org/W1991849760","https://openalex.org/W1993152394","https://openalex.org/W1996938167","https://openalex.org/W2002506527","https://openalex.org/W2018871138","https://openalex.org/W2069344094","https://openalex.org/W2069808172","https://openalex.org/W2076820746","https://openalex.org/W2080442075","https://openalex.org/W2088546850","https://openalex.org/W2092344030","https://openalex.org/W2115588498","https://openalex.org/W2117719012","https://openalex.org/W2137631575","https://openalex.org/W2143206354","https://openalex.org/W2160446865","https://openalex.org/W2163546899","https://openalex.org/W2223347777","https://openalex.org/W2268167219","https://openalex.org/W2344212809","https://openalex.org/W2473770527","https://openalex.org/W2592707037","https://openalex.org/W2755377387","https://openalex.org/W2947791494","https://openalex.org/W2972008302","https://openalex.org/W2988807245","https://openalex.org/W3156913125","https://openalex.org/W3166699329","https://openalex.org/W3195015580","https://openalex.org/W4213127085","https://openalex.org/W4281401030","https://openalex.org/W4281740949","https://openalex.org/W4321765801","https://openalex.org/W7161022882"],"related_works":["https://openalex.org/W4390052670","https://openalex.org/W4412487976","https://openalex.org/W7116845159","https://openalex.org/W7163734511","https://openalex.org/W7128492475","https://openalex.org/W2068237670","https://openalex.org/W3179804029","https://openalex.org/W2489194202","https://openalex.org/W4281694904","https://openalex.org/W2014419786"],"abstract_inverted_index":{"Advances":[0],"in":[1,6,13,63,67,79,102,123,178],"mass":[2,25,135],"spectrometry":[3,26,136],"instrumentation":[4],"resulted":[5],"richer":[7],"MSn":[8],"spectra":[9],"and":[10,28,73,125,151,191,199],"additional":[11],"ambiguity":[12,78,177],"peak":[14,75,91,194],"assignments.":[15,76],"Internal":[16],"fragment":[17,81,108,171],"ions":[18,109],"(IFs)":[19],"are":[20,29],"often":[21,101,138],"prevalent":[22],"during":[23,45],"top-down":[24],"(TDMS)":[27],"particularly":[30],"difficult":[31],"to":[32,92,95],"assign\u2500to":[33],"the":[34,50,68,71,86,103,127,157,179],"extent":[35],"many":[36],"practitioners":[37],"currently":[38],"forgo":[39],"their":[40],"assignment.":[41],"Accounting":[42],"for":[43,88],"IFs":[44],"high-yield":[46],"dissociation":[47],"can":[48,137,168,188,222],"increase":[49,66],"depth":[51],"of":[52,58,70,105,116,129,196,225],"sequence":[53,112],"coverage":[54],"by":[55,166,174],"an":[56,215],"order":[57],"magnitude":[59],"but":[60],"also":[61,207],"results":[62],"a":[64,120,145,210],"geometric":[65],"size":[69],"database":[72],"ambiguous":[74],"The":[77,114],"TDMS":[80,124,146,190],"ion":[82,160,163,172],"assignments":[83,173,195],"comes":[84],"from":[85,110,144],"potential":[87],"one":[89],"experimental":[90],"be":[93,223],"assigned":[94,153],"two":[96],"or":[97,162,219],"more":[98],"theoretical":[99],"molecules\u2500most":[100],"form":[104],"isomeric":[106,176,197,212],"internal":[107,200,220],"distinct":[111],"regions.":[113],"disambiguation":[115],"such":[117],"peaks":[118],"remains":[119],"major":[121],"challenge":[122],"is":[126],"focus":[128],"this":[130],"work.":[131],"Ion":[132],"mobility":[133,164,180],"(IM)":[134],"separate":[139],"isomers,":[140],"including":[141],"peptides.":[142],"Starting":[143],"spectrum":[147],"containing":[148],"both":[149],"unambiguously":[150],"ambiguously":[152],"peaks,":[154],"we":[155,206],"address":[156],"hypothesis":[158],"that":[159,184,209],"mobility,":[161],"followed":[165],"fragmentation,":[167],"help":[169],"disambiguate":[170,189],"resolving":[175],"domain.":[181],"We":[182],"demonstrate":[183,208],"mobility-aligned":[185],"fragmentation":[186],"(MAF)":[187],"peptide":[192],"MS/MS":[193],"terminal":[198],"ions.":[201],"Consistent":[202],"with":[203,229],"previous":[204],"studies,":[205],"single":[211],"species":[213],"(e.g.,":[214],"individual":[216],"b-,":[217],"a-,":[218],"ion)":[221],"comprised":[224],"multiple":[226],"conformational":[227],"isomers":[228],"different":[230],"collisional":[231],"cross-section":[232],"(CCS)":[233],"values.":[234]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2026-09-02T00:00:00"}
