{"id":"https://openalex.org/W7140167475","doi":"https://doi.org/10.5281/zenodo.19209003","title":"Targeted GC-IMS Urine Dataset for Anisole and 2-Heptanone Analysis in Colorectal Cancer and Control Samples","display_name":"Targeted GC-IMS Urine Dataset for Anisole and 2-Heptanone Analysis in Colorectal Cancer and Control Samples","publication_year":2026,"publication_date":"2026-03-24","ids":{"openalex":"https://openalex.org/W7140167475","doi":"https://doi.org/10.5281/zenodo.19209003"},"language":"en","primary_location":{"id":"doi:10.5281/zenodo.19209003","doi":"https://doi.org/10.5281/zenodo.19209003","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.19209003","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"volume":null,"type":"dataset","is_traditional":false,"indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.5281/zenodo.19209003","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5128358317","display_name":"Gema Guedes de la Cruz","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210147769","display_name":"Institute for Bioengineering of Catalonia","ror":"https://ror.org/056h71x09","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210132884","https://openalex.org/I4210147769","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Guedes de la Cruz, Gema","raw_affiliation_strings":["Institute for Bioengineering of Catalonia (IBEC)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Bioengineering of Catalonia (IBEC)","institution_ids":["https://openalex.org/I4210147769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128493861","display_name":"Tecla Duran Fort","orcid":"https://orcid.org/0009-0001-2486-6277","observed_orcids":["https://orcid.org/0009-0001-2486-6277"]},"institutions":[{"id":"https://openalex.org/I4210147769","display_name":"Institute for Bioengineering of Catalonia","ror":"https://ror.org/056h71x09","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210132884","https://openalex.org/I4210147769","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Duran Fort, Tecla","raw_affiliation_strings":["Institute for Bioengineering of Catalonia (IBEC)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute for Bioengineering of Catalonia (IBEC)","institution_ids":["https://openalex.org/I4210147769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101845234","display_name":"Luis Fern\u00e1ndez","orcid":"https://orcid.org/0000-0001-9790-6287","observed_orcids":["https://orcid.org/0000-0001-9790-6287"]},"institutions":[{"id":"https://openalex.org/I4210147769","display_name":"Institute for Bioengineering of Catalonia","ror":"https://ror.org/056h71x09","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210132884","https://openalex.org/I4210147769","https://openalex.org/I4387153040"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Fern\u00e1ndez Romero, Luis","raw_affiliation_strings":["Universitat de Barcelona (UB)","Institute for Bioengineering of Catalonia (IBEC)"],"raw_orcid":"https://orcid.org/0000-0001-9790-6287","affiliations":[{"raw_affiliation_string":"Universitat de Barcelona (UB)","institution_ids":["https://openalex.org/I71999127"]},{"raw_affiliation_string":"Institute for Bioengineering of Catalonia (IBEC)","institution_ids":["https://openalex.org/I4210147769"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064169996","display_name":"Santiago Marco","orcid":"https://orcid.org/0000-0003-2663-2965","observed_orcids":["https://orcid.org/0000-0003-2663-2965"]},"institutions":[{"id":"https://openalex.org/I4210147769","display_name":"Institute for Bioengineering of Catalonia","ror":"https://ror.org/056h71x09","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210132884","https://openalex.org/I4210147769","https://openalex.org/I4387153040"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Marco Col\u00e1s, Santigo","raw_affiliation_strings":["Universitat de Barcelona (UB)","Institute for Bioengineering of Catalonia (UB)"],"raw_orcid":"https://orcid.org/0000-0003-2663-2965","affiliations":[{"raw_affiliation_string":"Universitat de Barcelona (UB)","institution_ids":["https://openalex.org/I71999127"]},{"raw_affiliation_string":"Institute for Bioengineering of Catalonia (UB)","institution_ids":["https://openalex.org/I4210147769","https://openalex.org/I71999127"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059311736","display_name":"Antonio Pardo","orcid":"https://orcid.org/0000-0003-4369-544X","observed_orcids":["https://orcid.org/0000-0003-4369-544X"]},"institutions":[{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Pardo Mart\u00ednez, Antonio","raw_affiliation_strings":["Universitat de Barcelona (UB)"],"raw_orcid":"https://orcid.org/0000-0003-4369-544X","affiliations":[{"raw_affiliation_string":"Universitat de Barcelona (UB)","institution_ids":["https://openalex.org/I71999127"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031374790","display_name":"Josep Gum\u00e0","orcid":"https://orcid.org/0000-0001-7541-9832","observed_orcids":["https://orcid.org/0000-0001-7541-9832"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Gum\u00e0, Josep","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0001-7541-9832","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057425358","display_name":"J. Brezmes","orcid":"https://orcid.org/0000-0002-7704-8550","observed_orcids":["https://orcid.org/0000-0002-7704-8550"]},"institutions":[{"id":"https://openalex.org/I55952717","display_name":"Universitat Rovira i Virgili","ror":"https://ror.org/00g5sqv46","country_code":"ES","type":"education","lineage":["https://openalex.org/I55952717"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Brezmes, Jes\u00fas","raw_affiliation_strings":["Universitat Rovira i Virgili: Tarragona, Catalunya, ES"],"raw_orcid":"https://orcid.org/0000-0002-7704-8550","affiliations":[{"raw_affiliation_string":"Universitat Rovira i Virgili: Tarragona, Catalunya, ES","institution_ids":["https://openalex.org/I55952717"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5030524031","display_name":"Raquel Cumeras","orcid":"https://orcid.org/0000-0003-4663-4247","observed_orcids":["https://orcid.org/0000-0003-4663-4247"]},"institutions":[{"id":"https://openalex.org/I4210101772","display_name":"Institut de Recerca Biom\u00e8dica Catalunya Sud","ror":"https://ror.org/01av3a615","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210101772","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Cumeras, Raquel","raw_affiliation_strings":["Institut d'Investigaci\u00f3 Sanit\u00e0ria Pere Virgili: Reus, Tarragona, ES"],"raw_orcid":"https://orcid.org/0000-0003-4663-4247","affiliations":[{"raw_affiliation_string":"Institut d'Investigaci\u00f3 Sanit\u00e0ria Pere Virgili: Reus, Tarragona, ES","institution_ids":["https://openalex.org/I4210101772"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11667","display_name":"Advanced Chemical Sensor Technologies","score":0.9814000129699707,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11667","display_name":"Advanced Chemical Sensor Technologies","score":0.9814000129699707,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.007499999832361937,"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/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.004699999932199717,"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/anisole","display_name":"anisole","score":0.8389999866485596},{"id":"https://openalex.org/keywords/2-heptanone","display_name":"2-heptanone","score":1.0},{"id":"https://openalex.org/keywords/volatile-organic-compounds","display_name":"volatile organic compounds","score":0.9340000152587891},{"id":"https://openalex.org/keywords/urine","display_name":"urine","score":0.8029999732971191},{"id":"https://openalex.org/keywords/colorectal-cancer","display_name":"colorectal cancer","score":0.9700000286102295},{"id":"https://openalex.org/keywords/gc-ims","display_name":"GC-IMS","score":0.7239999771118164},{"id":"https://openalex.org/keywords/calibration","display_name":"calibration","score":0.5220000147819519},{"id":"https://openalex.org/keywords/method-validation","display_name":"method validation","score":0.8930000066757202},{"id":"https://openalex.org/keywords/quality-control-samples","display_name":"quality control samples","score":0.8949999809265137},{"id":"https://openalex.org/keywords/peak-detection","display_name":"peak detection","score":0.4790000021457672},{"id":"https://openalex.org/keywords/tumor-markers","display_name":"tumor markers","score":0.6990000009536743}],"concepts":[{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.701200008392334},{"id":"https://openalex.org/C10390740","wikidata":"https://www.wikidata.org/wiki/Q2282401","display_name":"Analyte","level":2,"score":0.6603000164031982},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5985999703407288},{"id":"https://openalex.org/C2780026642","wikidata":"https://www.wikidata.org/wiki/Q40924","display_name":"Urine","level":2,"score":0.5375999808311462},{"id":"https://openalex.org/C165838908","wikidata":"https://www.wikidata.org/wiki/Q736777","display_name":"Calibration","level":2,"score":0.462799996137619},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.45739999413490295},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.44040000438690186},{"id":"https://openalex.org/C198531522","wikidata":"https://www.wikidata.org/wiki/Q485146","display_name":"Sample (material)","level":2,"score":0.40939998626708984},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.39910000562667847},{"id":"https://openalex.org/C2778576202","wikidata":"https://www.wikidata.org/wiki/Q2540164","display_name":"Sample preparation","level":2,"score":0.3801000118255615},{"id":"https://openalex.org/C526805850","wikidata":"https://www.wikidata.org/wiki/Q188874","display_name":"Colorectal cancer","level":3,"score":0.36579999327659607},{"id":"https://openalex.org/C23531484","wikidata":"https://www.wikidata.org/wiki/Q3196863","display_name":"Calibration curve","level":3,"score":0.3569999933242798},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.35019999742507935},{"id":"https://openalex.org/C2776404417","wikidata":"https://www.wikidata.org/wiki/Q312244","display_name":"Anisole","level":3,"score":0.3434999883174896},{"id":"https://openalex.org/C3020157845","wikidata":"https://www.wikidata.org/wiki/Q367359","display_name":"Control sample","level":2,"score":0.3264000117778778},{"id":"https://openalex.org/C95986675","wikidata":"https://www.wikidata.org/wiki/Q185168","display_name":"Quantitative analysis (chemistry)","level":2,"score":0.30649998784065247},{"id":"https://openalex.org/C205345274","wikidata":"https://www.wikidata.org/wiki/Q873009","display_name":"Gas chromatography\u2013mass spectrometry","level":3,"score":0.29980000853538513},{"id":"https://openalex.org/C2780962732","wikidata":"https://www.wikidata.org/wiki/Q422327","display_name":"Oxaliplatin","level":4,"score":0.2874999940395355},{"id":"https://openalex.org/C24756922","wikidata":"https://www.wikidata.org/wiki/Q1757694","display_name":"Data quality","level":3,"score":0.27720001339912415},{"id":"https://openalex.org/C163985040","wikidata":"https://www.wikidata.org/wiki/Q1172399","display_name":"Data acquisition","level":2,"score":0.26809999346733093},{"id":"https://openalex.org/C15213710","wikidata":"https://www.wikidata.org/wiki/Q904207","display_name":"Ion-mobility spectrometry","level":3,"score":0.26440000534057617},{"id":"https://openalex.org/C2993160541","wikidata":"https://www.wikidata.org/wiki/Q188874","display_name":"Colorectal cancer screening","level":5,"score":0.26409998536109924},{"id":"https://openalex.org/C2779530757","wikidata":"https://www.wikidata.org/wiki/Q1207505","display_name":"Quality (philosophy)","level":2,"score":0.25949999690055847},{"id":"https://openalex.org/C2779843651","wikidata":"https://www.wikidata.org/wiki/Q7390335","display_name":"SIGNAL (programming language)","level":2,"score":0.25209999084472656}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.5281/zenodo.19209003","doi":"https://doi.org/10.5281/zenodo.19209003","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.19209003","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},{"id":"doi:10.5281/zenodo.19209004","doi":"https://doi.org/10.5281/zenodo.19209004","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.19209004","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"}],"best_oa_location":{"id":"doi:10.5281/zenodo.19209003","doi":"https://doi.org/10.5281/zenodo.19209003","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.19209003","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.5683000087738037}],"study_designs":[],"awards":[{"id":"https://openalex.org/G4808117016","display_name":null,"funder_award_id":"PID2021-126543OB-C21","funder_id":"https://openalex.org/F4320326262","funder_display_name":"Ministerio de Asuntos Econ\u00f3micos y Transformaci\u00f3n Digital, Gobierno de Espa\u00f1a"},{"id":"https://openalex.org/G6002568906","display_name":null,"funder_award_id":"RTI2018-098577-B-C22","funder_id":"https://openalex.org/F4320326262","funder_display_name":"Ministerio de Asuntos Econ\u00f3micos y Transformaci\u00f3n Digital, Gobierno de Espa\u00f1a"},{"id":"https://openalex.org/G718062209","display_name":null,"funder_award_id":"SGR 2021 SGR 01393","funder_id":"https://openalex.org/F4320335162","funder_display_name":"Departament d'Universitats, Recerca i Societat de la Informaci\u00f3"}],"funders":[{"id":"https://openalex.org/F4320326262","display_name":"Ministerio de Asuntos Econ\u00f3micos y Transformaci\u00f3n Digital, Gobierno de Espa\u00f1a","ror":"https://ror.org/03sv46s19"},{"id":"https://openalex.org/F4320335162","display_name":"Departament d'Universitats, Recerca i Societat de la Informaci\u00f3","ror":"https://ror.org/01nx7yy98"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7134281595","https://openalex.org/W4393737850","https://openalex.org/W7134182333","https://openalex.org/W4308391446","https://openalex.org/W7169761975","https://openalex.org/W2095160456","https://openalex.org/W3128842151","https://openalex.org/W3197441784","https://openalex.org/W4313511850","https://openalex.org/W4282576825"],"abstract_inverted_index":{"Description":[0],"This":[1,291],"dataset":[2,28,137,226,292,326],"contains":[3,138],"gas":[4],"chromatography\u2013ion":[5],"mobility":[6,95],"spectrometry":[7],"(GC-IMS)":[8],"measurements":[9,230],"acquired":[10],"from":[11],"human":[12],"urine":[13,41,174,298],"samples":[14,150,158,162,165,170,190,195,200,205,207,313],"for":[15,216],"targeted":[16,50,248,294],"analysis":[17,39,296],"of":[18,34,89,103,112,172],"volatile":[19],"organic":[20],"compounds":[21,179,279],"(VOCs),":[22],"specifically":[23],"anisole":[24,253,282],"and":[25,54,93,115,145,184,254,270,289,302,306,323],"2-heptanone.":[26],"The":[27,136,225],"was":[29],"generated":[30],"in":[31,40,126,220,231,297],"the":[32,177,273,277,325],"context":[33],"research":[35,315],"on":[36,49],"quantitative":[37],"VOC":[38,295],"using":[42,57,64,311],"static":[43],"headspace":[44],"GC-IMS":[45,67,140,229,299],"(HS-GC-IMS),":[46],"with":[47,176],"emphasis":[48],"detection,":[51,268],"calibration":[52,214,305],"strategies,":[53],"method":[55,182,309],"validation":[56,310],"quality":[58,146],"control":[59,147,164],"samples.":[60,148,222],"Measurements":[61],"were":[62,259],"performed":[63],"a":[65,79,87,240,247],"FlavourSpec":[66],"instrument":[68],"(G.A.S.,":[69],"Dortmund,":[70],"Germany)":[71],"under":[72],"controlled":[73],"experimental":[74],"conditions.":[75],"Each":[76,98],"acquisition":[77,105],"produces":[78],"two-dimensional":[80],"signal":[81,262],"matrix":[82],"representing":[83],"ion":[84,94],"intensity":[85],"as":[86],"function":[88],"chromatographic":[90,104],"retention":[91],"time":[92],"drift":[96],"time.":[97],"measurement":[99],"lasts":[100],"30":[101,122],"minutes":[102,111],"time,":[106],"followed":[107],"by":[108],"approximately":[109,127],"1.5":[110],"system":[113],"cleaning":[114],"stabilization.":[116],"IMS":[117],"spectra":[118],"are":[119],"recorded":[120],"at":[121],"ms":[123],"intervals,":[124],"resulting":[125],"4.5":[128],"million":[129],"data":[130,300],"points":[131],"per":[132],"measurement.":[133],"Dataset":[134],"composition":[135],"44":[139],"measurements,":[141],"including":[142,264,316],"both":[143],"clinical":[144],"Clinical":[149],"(n":[151,166],"=":[152,167],"30)":[153],"Colorectal":[154],"cancer":[155,318],"(CRC):":[156],"15":[157,161],"Control":[159],"(CTRL):":[160],"Quality":[163],"14)":[168],"QC":[169,206,312],"consist":[171],"pooled":[173],"spiked":[175],"target":[178,278],"to":[180,212],"assess":[181],"stability":[183],"performance:":[185],"LLQC":[186],"(0.5":[187],"ppb):":[188,193,198,203],"2":[189],"LQC":[191],"(5":[192],"4":[194,199,204],"MQC":[196],"(15":[197],"HQC":[201],"(30":[202],"can":[208],"also":[209],"be":[210],"used":[211],"construct":[213],"models":[215],"predicting":[217],"analyte":[218],"concentrations":[219],"individual":[221],"Data":[223],"contents":[224],"includes:":[227],"raw":[228],".mea":[232],"format":[233],"an":[234],"annotation":[235],"file":[236],"describing":[237],"sample":[238],"metadata":[239],"peak":[241,249,267,275,303],"table":[242,250],"containing":[243,251],"all":[244],"detected":[245],"peaks":[246],"only":[252],"2-heptanone":[255,285],"signals":[256],"Peak":[257],"tables":[258],"obtained":[260],"after":[261],"processing":[263,301],"denoising,":[265],"alignment,":[266],"clustering,":[269],"integration.":[271],"In":[272],"filtered":[274],"table,":[276],"correspond":[280],"to:":[281],"\u2192":[283,286],"Cluster3":[284],"Cluster310":[287],"Scope":[288],"applications":[290],"supports:":[293],"selection":[304],"quantification":[307],"studies":[308,319],"biomedical":[314],"colorectal":[317],"To":[320],"support":[321],"transparency":[322],"reproducibility,":[324],"is":[327],"made":[328],"publicly":[329],"available.":[330]},"counts_by_year":[],"updated_date":"2026-10-13T10:08:12.033832","created_date":"2026-03-25T00:00:00"}