{"id":"https://openalex.org/W2045586973","doi":"https://doi.org/10.1016/j.jasms.2008.09.022","title":"Why are a3 ions rarely observed?","display_name":"Why are a3 ions rarely observed?","publication_year":2008,"publication_date":"2008-10-01","ids":{"openalex":"https://openalex.org/W2045586973","doi":"https://doi.org/10.1016/j.jasms.2008.09.022","mag":"2045586973","pmid":"https://pubmed.ncbi.nlm.nih.gov/18974010"},"language":"en","primary_location":{"id":"doi:10.1016/j.jasms.2008.09.022","doi":"https://doi.org/10.1016/j.jasms.2008.09.022","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.jasms.2008.09.022","pdf_url":null,"source":{"id":"https://openalex.org/S60743949","display_name":"Journal of the American Society for Mass Spectrometry","issn_l":"1044-0305","issn":["1044-0305","1879-1123"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Society for Mass Spectrometry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5046330933","display_name":"Julia M. Allen","orcid":"https://orcid.org/0000-0001-6897-4555","observed_orcids":["https://orcid.org/0000-0001-6897-4555"]},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Julia M. Allen","raw_affiliation_strings":["Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078753075","display_name":"Alawee H. Racine","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alawee H. Racine","raw_affiliation_strings":["Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040591169","display_name":"Ashley M. Berman","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ashley M. Berman","raw_affiliation_strings":["Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057695381","display_name":"Jeffrey S. Johnson","orcid":"https://orcid.org/0000-0001-8882-9881","observed_orcids":["https://orcid.org/0000-0001-8882-9881"]},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jeffrey S. Johnson","raw_affiliation_strings":["Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021915667","display_name":"Benjamin J. Bythell","orcid":"https://orcid.org/0000-0002-3703-0751","observed_orcids":["https://orcid.org/0000-0002-3703-0751"]},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Benjamin J. Bythell","raw_affiliation_strings":["Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001733075","display_name":"B\u00e9la Paizs","orcid":"https://orcid.org/0000-0002-8450-1042","observed_orcids":["https://orcid.org/0000-0002-8450-1042"]},"institutions":[{"id":"https://openalex.org/I17937529","display_name":"German Cancer Research Center","ror":"https://ror.org/04cdgtt98","country_code":"DE","type":"facility","lineage":["https://openalex.org/I1305996414","https://openalex.org/I17937529"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"B\u00e9la Paizs","raw_affiliation_strings":["Department of Molecular Physics, German Cancer Research Institute, Im Neuenheimer Feld 580, D-69120, Heidelberg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Molecular Physics, German Cancer Research Institute, Im Neuenheimer Feld 580, D-69120, Heidelberg, Germany","institution_ids":["https://openalex.org/I17937529"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071668469","display_name":"Gary L. Glish","orcid":"https://orcid.org/0000-0003-2418-4126","observed_orcids":["https://orcid.org/0000-0003-2418-4126"]},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gary L. Glish","raw_affiliation_strings":["Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of North Carolina-Chapel Hill, 27599-3290, Chapel Hill, NC","institution_ids":["https://openalex.org/I114027177"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":2.3157,"has_fulltext":false,"cited_by_count":41,"citation_normalized_percentile":{"value":0.87433642,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"19","issue":"12","first_page":"1764","last_page":"1770"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9990000128746033,"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":0.9990000128746033,"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":0.0005000000237487257,"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/T10911","display_name":"Chemical Synthesis and Analysis","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/tandem-mass-spectrometry-fragmentation","display_name":"tandem mass spectrometry fragmentation","score":0.8799999952316284},{"id":"https://openalex.org/keywords/transition-state-energies","display_name":"transition state energetics","score":0.5099999904632568},{"id":"https://openalex.org/keywords/internal-energy","display_name":"internal energy","score":0.5299999713897705},{"id":"https://openalex.org/keywords/base-peak","display_name":"base peak","score":0.5519999861717224}],"concepts":[{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.8899328708648682},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8291844129562378},{"id":"https://openalex.org/C2779790080","wikidata":"https://www.wikidata.org/wiki/Q109353049","display_name":"Oxazolone","level":2,"score":0.5785462856292725},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.506039559841156},{"id":"https://openalex.org/C40325409","wikidata":"https://www.wikidata.org/wiki/Q2360668","display_name":"Mass spectrum","level":3,"score":0.46096205711364746},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.4205780029296875},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.10158798098564148},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.05036240816116333},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D007477","descriptor_name":"Ions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010081","descriptor_name":"Oxazolone","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053719","descriptor_name":"Tandem Mass Spectrometry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1016/j.jasms.2008.09.022","doi":"https://doi.org/10.1016/j.jasms.2008.09.022","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.jasms.2008.09.022","pdf_url":null,"source":{"id":"https://openalex.org/S60743949","display_name":"Journal of the American Society for Mass Spectrometry","issn_l":"1044-0305","issn":["1044-0305","1879-1123"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Society for Mass Spectrometry","raw_type":"journal-article"},{"id":"pmid:18974010","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/18974010","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":"Journal of the American Society for Mass Spectrometry","raw_type":"Journal Article"},{"id":"mag:2494836183","doi":null,"is_oa":false,"landing_page_url":"https://link.springer.com/content/pdf/10.1016/j.jasms.2008.09.022.pdf","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":49,"referenced_works":["https://openalex.org/W1974709651","https://openalex.org/W1976969829","https://openalex.org/W1977168348","https://openalex.org/W1981978551","https://openalex.org/W1982191600","https://openalex.org/W1985866434","https://openalex.org/W1993018008","https://openalex.org/W1993152394","https://openalex.org/W1995944305","https://openalex.org/W1998173254","https://openalex.org/W1999542082","https://openalex.org/W2000819512","https://openalex.org/W2002044310","https://openalex.org/W2003695026","https://openalex.org/W2005552794","https://openalex.org/W2007425565","https://openalex.org/W2007845174","https://openalex.org/W2009939915","https://openalex.org/W2010164543","https://openalex.org/W2015180770","https://openalex.org/W2016137254","https://openalex.org/W2020640485","https://openalex.org/W2021274263","https://openalex.org/W2023963613","https://openalex.org/W2024876372","https://openalex.org/W2031253761","https://openalex.org/W2051223292","https://openalex.org/W2053888138","https://openalex.org/W2056850783","https://openalex.org/W2057090139","https://openalex.org/W2061817534","https://openalex.org/W2062049401","https://openalex.org/W2073401456","https://openalex.org/W2074859966","https://openalex.org/W2075339226","https://openalex.org/W2078910808","https://openalex.org/W2081620687","https://openalex.org/W2084329554","https://openalex.org/W2084370050","https://openalex.org/W2087212852","https://openalex.org/W2087244783","https://openalex.org/W2088336240","https://openalex.org/W2088386582","https://openalex.org/W2095586596","https://openalex.org/W2118642670","https://openalex.org/W2143553309","https://openalex.org/W2158052539","https://openalex.org/W2159066173","https://openalex.org/W2335117233"],"related_works":["https://openalex.org/W2494836183","https://openalex.org/W1993316950","https://openalex.org/W6921833476","https://openalex.org/W2005552794","https://openalex.org/W2057090139","https://openalex.org/W1592724932","https://openalex.org/W2008646712","https://openalex.org/W2144194454","https://openalex.org/W2080442075","https://openalex.org/W7100588927"],"abstract_inverted_index":{"It":[0],"has":[1,93],"been":[2,94],"determined":[3,95],"experimentally":[4],"that":[5,57,97,145,156],"a(3)":[6,99,117,153,158,182,189],"ions":[7,54,87,190],"are":[8,191],"generally":[9],"not":[10,192],"observed":[11,193],"in":[12,24,41,103,125,194],"the":[13,33,38,65,71,76,98,111,116,137,146,152,157,169,180,195],"tandem":[14],"mass":[15],"spectroscopic":[16],"(MS/MS)":[17],"spectra":[18,197],"of":[19,58,79,88,133,168,198],"b(3)":[20,53,77,147,199],"ions.":[21,114,140,200],"This":[22],"is":[23,83,101,123,143,187],"contrast":[25],"to":[26,56,69,110,151],"other":[27,59,85,106,128],"b(n)":[28,60,86],"ions,":[29,61,108],"which":[30],"often":[31],"have":[32],"corresponding":[34,112,138],"a(n)":[35,107,129],"ion":[36,78,100,148,159],"as":[37,81],"base":[39],"peak":[40],"their":[42],"MS/MS":[43,196],"spectra.":[44],"Although":[45],"this":[46,89],"might":[47],"suggest":[48],"a":[49],"different":[50],"structure":[51,68,74,121],"for":[52,75,84],"compared":[55,135],"theoretical":[62],"calculations":[63],"indicate":[64],"conventional":[66],"oxazolone":[67],"be":[70],"lowest":[72],"energy":[73,104,126,172,178],"AAAAR,":[80,134],"it":[82,92,142],"peptide.":[90],"However,":[91],"theoretically":[96],"lower":[102,124],"than":[105,127],"relative":[109],"b":[113,139],"Furthermore,":[115],"-->":[118,130,183],"b(2)":[119,164,184],"transition":[120],"(TS)":[122],"b(n-1)":[131],"TSs":[132],"with":[136],"Consequently,":[141],"suggested":[144],"does":[149],"fragment":[150],"ion,":[154],"but":[155],"then":[160],"immediately":[161],"fragments":[162],"(to":[163],"and":[165,179],"a(3))":[166],"because":[167],"excess":[170],"internal":[171],"arising":[173],"from":[174],"its":[175],"relatively":[176],"low":[177],"facile":[181],"reaction.":[185],"That":[186],"why":[188]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":7}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
