{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T05:25:04Z","timestamp":1792041904429,"version":"4.4.0"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"34","license":[{"start":{"date-parts":[[2026,8,21]],"date-time":"2026-08-21T00:00:00Z","timestamp":1787270400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100019180","name":"HORIZON EUROPE European Research Council","doi-asserted-by":"publisher","award":["101076276"],"award-info":[{"award-number":["101076276"]}],"id":[{"id":"10.13039\/100019180","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/na","name":"ATMO-ACCESS","doi-asserted-by":"publisher","award":["101008004"],"award-info":[{"award-number":["101008004"]}],"id":[{"id":"10.13039\/na","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/na","name":"NOAA NESDIS Geostationary Extended Observations Program","doi-asserted-by":"publisher","award":["80GSFC24CA026"],"award-info":[{"award-number":["80GSFC24CA026"]}],"id":[{"id":"10.13039\/na","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/na","name":"Klaus Tschira Boost Fund","doi-asserted-by":"publisher","award":["GSOKT28"],"award-info":[{"award-number":["GSOKT28"]}],"id":[{"id":"10.13039\/na","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,9,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Quantifying oxygenated volatile organic compounds (OVOCs) in the atmospheric gas phase remains a major challenge, particularly in urban environments where these compounds are important contributors to air quality and health impacts. Here, we present a collision-induced dissociation based voltage-scanning method to derive sensitivities for an ammonium-adduct chemical ionization mass spectrometer, enabling quantification of OVOCs beyond those available for direct calibration. The method was validated under laboratory conditions and applied during the 2023 AEROMMA airborne campaign and the 2024 SAPHIR-CHANEL chamber campaign. The approach extended quantification coverage to 98% of the total signal in chamber experiments and 78% in field measurements. Detected species spanned a wide volatility range, with chamber experiments allowing enhanced detection of more oxidized, higher-molecular-weight products compared to the more variable and diluted field observations. Although coverage decreased with increasing molecular size and oxidation state, the method consistently extended into these regimes, particularly under controlled chamber conditions. Sensitivity trends between chamber and field data showed strong agreement, supporting the use of chamber-derived calibrations for ambient quantification. Incorporating these additional quantified species increased estimates of OH reactivity and secondary organic aerosol formation potential by around 5% and around 62%, respectively, contributing to improved chemical closure in urban air.<\/jats:p>","DOI":"10.1021\/acs.est.6c04149","type":"journal-article","created":{"date-parts":[[2026,8,23]],"date-time":"2026-08-23T15:20:28Z","timestamp":1787498428000},"page":"24227-24238","source":"Crossref","is-referenced-by-count":2,"title":["Beyond\nTargeted Calibrations: Comprehensive Quantification\nof Oxygenated Organic Compounds in Urban Atmospheres"],"prefix":"10.1021","volume":"60","author":[{"ORCID":"https:\/\/orcid.org\/0009-0001-2806-7755","authenticated-orcid":true,"given":"Milan","family":"Roska","sequence":"first","affiliation":[{"name":"Forschungszentrum Ju\u0308lich , , ,","place":["Ju\u0308lich, Germany, 52428"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3462-2126","authenticated-orcid":true,"given":"Chelsea E.","family":"Stockwell","sequence":"additional","affiliation":[{"name":"NOAA Chemical Sciences Laboratory (CSL) , , ,","place":["Boulder, Colorado, United States, 80305"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5763-1925","authenticated-orcid":true,"given":"Matthew M.","family":"Coggon","sequence":"additional","affiliation":[{"name":"NOAA Chemical Sciences Laboratory (CSL) , , ,","place":["Boulder, Colorado, United States, 80305"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kelvin H.","family":"Bates","sequence":"additional","affiliation":[{"name":"University of Colorado , , , ,","place":["Boulder, Colorado, United States, 80309"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0021-9876","authenticated-orcid":true,"given":"Lu","family":"Xu","sequence":"additional","affiliation":[{"name":"NOAA Chemical Sciences Laboratory (CSL) , , ,","place":["Boulder, Colorado, United States, 80305"]},{"name":"Washington University in St. Louis , , , ,","place":["St. Louis, Missouri, United States, 63130"]},{"name":"University of Colorado Boulder , , , ,","place":["Boulder, Colorado, United States, 80309"]},{"name":"Washington University , , , ,","place":["St. Louis, Missouri, United States, 63130"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7101-9054","authenticated-orcid":true,"given":"Caroline C.","family":"Womack","sequence":"additional","affiliation":[{"name":"NOAA Chemical Sciences Laboratory (CSL) , , ,","place":["Boulder, Colorado, United States, 80305"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0009-1951-2050","authenticated-orcid":true,"given":"Wyndom S.","family":"Chace","sequence":"additional","affiliation":[{"name":"NOAA Chemical Sciences Laboratory (CSL) , , ,","place":["Boulder, Colorado, United States, 80305"]},{"name":"University of Colorado Boulder , , , ,","place":["Boulder, Colorado, United States, 80309"]},{"name":"University of Colorado Boulder , , , ,","place":["Boulder, Colorado, United States, 80309"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1973-4613","authenticated-orcid":true,"given":"Rose","family":"Taylor","sequence":"additional","affiliation":[{"name":"University of Maryland , , , ,","place":["Baltimore, Maryland, United States, 21250"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yizhen","family":"Wu","sequence":"additional","affiliation":[{"name":"Forschungszentrum Ju\u0308lich , , ,","place":["Ju\u0308lich, Germany, 52428"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ralf","family":"Tillmann","sequence":"additional","affiliation":[{"name":"Forschungszentrum Ju\u0308lich , , ,","place":["Ju\u0308lich, Germany, 52428"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Christian","family":"Wesolek","sequence":"additional","affiliation":[{"name":"Forschungszentrum Ju\u0308lich , , ,","place":["Ju\u0308lich, Germany, 52428"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7715-1200","authenticated-orcid":true,"given":"Eva Y.","family":"Pfannerstill","sequence":"additional","affiliation":[{"name":"Forschungszentrum Ju\u0308lich , , ,","place":["Ju\u0308lich, Germany, 52428"]},{"name":"University of Cologne , , ,","place":["Cologne, Germany, 50969"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Franz","family":"Rohrer","sequence":"additional","affiliation":[{"name":"Forschungszentrum Ju\u0308lich , , ,","place":["Ju\u0308lich, Germany, 52428"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8773-4987","authenticated-orcid":true,"given":"Alexandra P.","family":"Tsimpidi","sequence":"additional","affiliation":[{"name":"Forschungszentrum Ju\u0308lich , , ,","place":["Ju\u0308lich, Germany, 52428"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1616-9746","authenticated-orcid":true,"given":"Vlassis A.","family":"Karydis","sequence":"additional","affiliation":[{"name":"Forschungszentrum Ju\u0308lich , , ,","place":["Ju\u0308lich, Germany, 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52428"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,21]]},"reference":[{"key":"2026090307132954200_cit1","doi-asserted-by":"publisher","first-page":"367","DOI":"10.1038\/nature15371","article-title":"The contribution of outdoor air pollution sources to\npremature mortality on a global scale","volume":"525","author":"Lelieveld","year":"2015","journal-title":"Nature"},{"key":"2026090307132954200_cit2","doi-asserted-by":"publisher","first-page":"11201","DOI":"10.5194\/acp-21-11201-2021","article-title":"Secondary organic aerosols from anthropogenic\nvolatile organic compounds\ncontribute substantially to air pollution mortality","volume":"21","author":"Nault","year":"2021","journal-title":"Atmos. Chem. Phys."},{"key":"2026090307132954200_cit3","unstructured":"Agency, E. E.\n          \n          Air Quality Status\nReport 2025; EEA Report (Online); Publications\nOffice: LU, 2025."},{"key":"2026090307132954200_cit4","unstructured":"World Health Organization.\n          \n          WHO global air quality guidelines.\nParticulate matter (PM2.5 and PM10), ozone, nitrogen dioxide, sulfur\ndioxide and carbon monoxide. Executive summary.  Technical Report; World Health Organization: Geneva, 2021."},{"key":"2026090307132954200_cit5","unstructured":"European Union.\n          \n          Directive 2008\/50\/EC of the European Parliament and\nof the Council of 21 May 2008 on ambient air quality and cleaner air\nfor Europe. In  Technical Report; European Union, 2015."},{"key":"2026090307132954200_cit6","doi-asserted-by":"publisher","first-page":"5053","DOI":"10.1016\/j.atmosenv.2010.09.010","article-title":"Global comparison\nof VOC and CO observations in urban areas","volume":"44","author":"Von Schneidemesser","year":"2010","journal-title":"Atmos.\nEnviron."},{"key":"2026090307132954200_cit7","doi-asserted-by":"publisher","first-page":"760","DOI":"10.1126\/science.aaq0524","article-title":"Volatile chemical products\nemerging as largest petrochemical source\nof urban organic emissions","volume":"359","author":"McDonald","year":"2018","journal-title":"Science"},{"key":"2026090307132954200_cit8","doi-asserted-by":"publisher","first-page":"4332","DOI":"10.1021\/acs.est.0c05471","article-title":"Observations Confirm\nthat Volatile\nChemical Products Are a Major Source of Petrochemical Emissions in\nU.S. Cities","volume":"55","author":"Gkatzelis","year":"2021","journal-title":"Environ. Sci. Technol."},{"key":"2026090307132954200_cit9","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2026653118","article-title":"Volatile chemical product\nemissions enhance\nozone and modulate urban chemistry","volume":"118","author":"Coggon","year":"2021","journal-title":"Proc. Natl.\nAcad. Sci. U. S. A."},{"key":"2026090307132954200_cit10","doi-asserted-by":"publisher","first-page":"4289","DOI":"10.5194\/acp-24-4289-2024","article-title":"Contribution of cooking emissions to the urban volatile organic compounds\nin Las Vegas, NV","volume":"24","author":"Coggon","year":"2024","journal-title":"Atmos. Chem. Phys."},{"key":"2026090307132954200_cit11","doi-asserted-by":"publisher","first-page":"690","DOI":"10.1021\/acsestair.4c00039","article-title":"Sources of Wintertime\nAtmospheric\nOrganic Pollutants in a Large Canadian City: Insights from Particle\nand Gas Phase Measurements","volume":"1","author":"Rivellini","year":"2024","journal-title":"ACS ES&T Air"},{"key":"2026090307132954200_cit12","doi-asserted-by":"publisher","first-page":"7353","DOI":"10.5194\/amt-2022-228","article-title":"A Chemical Ionization\nMass Spectrometry Utilizing Ammonium Ions (NH+4 CIMS) for Measurements of Organic Compounds in the Atmosphere","volume":"15","author":"Xu","year":"2022","journal-title":"Atmos. Meas. Tech."},{"key":"2026090307132954200_cit13","doi-asserted-by":"publisher","first-page":"71","DOI":"10.1016\/j.ijms.2017.04.006","article-title":"Calculation of the sensitivity of\nproton-transfer-reaction mass spectrometry (PTR-MS) for organic trace\ngases using molecular properties","volume":"421","author":"Sekimoto","year":"2017","journal-title":"Int. J. Mass\nSpectrom."},{"key":"2026090307132954200_cit14","doi-asserted-by":"publisher","first-page":"1861","DOI":"10.5194\/amt-12-1861-2019","article-title":"Using collision-induced dissociation\nto constrain sensitivity of ammonia chemical ionization mass spectrometry\n(NH+4 CIMS) to oxygenated volatile organic compounds","volume":"12","author":"Zaytsev","year":"2019","journal-title":"Atmos. Meas. Tech."},{"key":"2026090307132954200_cit15","doi-asserted-by":"publisher","first-page":"6309","DOI":"10.1021\/es500362a","article-title":"An Iodide-Adduct\nHigh-Resolution\nTime-of-Flight Chemical-Ionization Mass Spectrometer: Application\nto Atmospheric Inorganic and Organic Compounds","volume":"48","author":"Lee","year":"2014","journal-title":"Environ. Sci. Technol."},{"key":"2026090307132954200_cit16","doi-asserted-by":"publisher","first-page":"1505","DOI":"10.5194\/amt-9-1505-2016","article-title":"Constraining the sensitivity of iodide\nadduct chemical ionization mass spectrometry to multifunctional organic\nmolecules using the collision limit and thermodynamic stability of\niodide ion adducts","volume":"9","author":"Lopez-Hilfiker","year":"2016","journal-title":"Atmos. Meas. Tech."},{"key":"2026090307132954200_cit17","unstructured":"Warneke, C.; et al.; The AEROMMA 2023 experiment (Atmospheric Emissions and Reactions\nObserved from Megacities to Marine Areas). In  Technical Report; National Oceanic and Atmospheric\nAdministration, 2023."},{"key":"2026090307132954200_cit18","unstructured":"Wu, Y.; et al.; Recreating\nthe Breath of Cities in the Atmospheric Simulation Chamber SAPHIR, Manuscript to be submitted, 2026."},{"key":"2026090307132954200_cit19","unstructured":"Richter, C.\n          \n          Ozone Production in the\nAtmosphere Simulation Chamber SAPHIR; Schriften\ndes Forschungszentrums Ju\u0308lich\/Reihe Energie & Umwelt; Reihe\nEnergie & Umwelt: Forschungszentrum,\nZentralbibliothek, 2008."},{"key":"2026090307132954200_cit20","doi-asserted-by":"publisher","first-page":"1","DOI":"10.5194\/egusphere-2025-6310","article-title":"Gas-particle partitioning, molecular weight, and yield of organic\nnitrate under different urban VOC, NOx, and oxidation conditions\nduring SAPHIR-CHANEL campaign","volume":"2026","author":"Nursanto","year":"2026","journal-title":"EGUsphere"},{"key":"2026090307132954200_cit21","doi-asserted-by":"publisher","DOI":"10.1029\/2025JD043597","article-title":"Development of the United States GReenhouse\nGas and Air Pollutants Emissions System (GRA2PES)","volume":"130","author":"Lyu","year":"2025","journal-title":"J. Geophys. Res.: Atmos."},{"key":"2026090307132954200_cit22","doi-asserted-by":"publisher","first-page":"2109","DOI":"10.5194\/acp-16-2109-2016","article-title":"Atmospheric\nOH reactivity in central London: observations, model predictions and\nestimates of in situ ozone production","volume":"16","author":"Whalley","year":"2016","journal-title":"Atmos.\nChem. Phys."},{"key":"2026090307132954200_cit23","doi-asserted-by":"publisher","first-page":"1259","DOI":"10.1126\/science.1133061","article-title":"Rethinking\nOrganic Aerosols: Semivolatile Emissions and Photochemical Aging","volume":"315","author":"Robinson","year":"2007","journal-title":"Science"},{"key":"2026090307132954200_cit24","doi-asserted-by":"publisher","first-page":"1","DOI":"10.5194\/egusphere-2024-1899","article-title":"Urban ozone formation\nand sensitivities to volatile chemical products,\ncooking emissions, and NOx across the Los Angeles Basin","volume":"2024","author":"Stockwell","year":"2024","journal-title":"EGUsphere"},{"key":"2026090307132954200_cit25","doi-asserted-by":"publisher","first-page":"1324","DOI":"10.1126\/science.adg8204","article-title":"Temperature-dependent\nemissions dominate aerosol and ozone formation in Los Angeles","volume":"384","author":"Pfannerstill","year":"2024","journal-title":"Science"},{"key":"2026090307132954200_cit26","doi-asserted-by":"publisher","first-page":"423","DOI":"10.5194\/amt-9-423-2016","article-title":"A broadband cavity enhanced absorption\nspectrometer for aircraft measurements of glyoxal, methylglyoxal,\nnitrous acid, nitrogen dioxide, and water vapor","volume":"9","author":"Min","year":"2016","journal-title":"Atmos. Meas. Tech."},{"key":"2026090307132954200_cit27","doi-asserted-by":"publisher","first-page":"462","DOI":"10.1038\/s41557-018-0002-2","article-title":"Chemical evolution of\natmospheric organic carbon over multiple generations\nof oxidation","volume":"10","author":"Isaacman-VanWertz","year":"2018","journal-title":"Nat. Chem."},{"key":"2026090307132954200_cit28","doi-asserted-by":"publisher","first-page":"6835","DOI":"10.5194\/amt-14-6835-2021","article-title":"Quantification of isomer-resolved\niodide chemical ionization mass spectrometry sensitivity and uncertainty\nusing a voltage-scanning approach","volume":"14","author":"Bi","year":"2021","journal-title":"Atmos. Meas.\nTech."},{"key":"2026090307132954200_cit29","doi-asserted-by":"publisher","first-page":"291","DOI":"10.5194\/amt-10-291-2017","article-title":"An improved, automated\nwhole air sampler and gas chromatography mass\nspectrometry analysis system for volatile organic compounds in the\natmosphere","volume":"10","author":"Lerner","year":"2017","journal-title":"Atmos. Meas. Tech."},{"key":"2026090307132954200_cit30","doi-asserted-by":"publisher","first-page":"801","DOI":"10.5194\/amt-17-801-2024","article-title":"Identifying and correcting interferences to PTR-ToF-MS measurements\nof isoprene and other urban volatile organic compounds","volume":"17","author":"Coggon","year":"2024","journal-title":"Atmos. Meas. Tech."},{"key":"2026090307132954200_cit31","doi-asserted-by":"publisher","first-page":"3547","DOI":"10.5194\/amt-18-3547-2025","article-title":"Interpretation\nof mass spectra by a Vocus proton-transfer-reaction mass spectrometer\n(PTR-MS) at an urban site: insights from gas chromatographic pre-separation","volume":"18","author":"Zhang","year":"2025","journal-title":"Atmos. Meas. Tech."},{"key":"2026090307132954200_cit32","doi-asserted-by":"publisher","first-page":"387","DOI":"10.1039\/D2EA00079B","article-title":"An autonomous\nremotely operated gas chromatograph for chemically resolved monitoring\nof atmospheric volatile organic compounds","volume":"3","author":"McGlynn","year":"2023","journal-title":"Environ.\nSci.: Atmos."},{"key":"2026090307132954200_cit33","doi-asserted-by":"publisher","first-page":"3374","DOI":"10.1021\/acs.est.5c09701","article-title":"Hydroxyl Radical-Initiated\nOxidation of Isoprene Leads to a Cyclic Peroxyhemiacetal via 1, 6-Hydrogen\nShift Chemistry That Yields Secondary Organic Aerosol","volume":"60","author":"Rice","year":"2026","journal-title":"Environ. Sci. Technol."},{"key":"2026090307132954200_cit34","doi-asserted-by":"publisher","first-page":"3327","DOI":"10.5194\/acp-16-3327-2016","article-title":"Molecular corridors and parameterizations\nof volatility in the chemical evolution of organic aerosols","volume":"16","author":"Li","year":"2016","journal-title":"Atmos. Chem. Phys."},{"key":"2026090307132954200_cit35","doi-asserted-by":"publisher","first-page":"11501","DOI":"10.5194\/acp-19-11501-2019","article-title":"Shipborne measurements of total OH reactivity around the Arabian\nPeninsula and its role in ozone chemistry","volume":"19","author":"Pfannerstill","year":"2019","journal-title":"Atmos.\nChem. Phys."},{"key":"2026090307132954200_cit36","doi-asserted-by":"publisher","first-page":"6231","DOI":"10.5194\/acp-21-6231-2021","article-title":"Total OH reactivity\nover the Amazon rainforest: variability with\ntemperature, wind, rain, altitude, time of day, season, and an overall\nbudget closure","volume":"21","author":"Pfannerstill","year":"2021","journal-title":"Atmos. Chem. Phys."},{"key":"2026090307132954200_cit37","doi-asserted-by":"publisher","first-page":"4605","DOI":"10.1021\/cr0206420","article-title":"Atmospheric Degradation of Volatile\nOrganic Compounds","volume":"103","author":"Atkinson","year":"2003","journal-title":"Chem. Rev."},{"key":"2026090307132954200_cit38","doi-asserted-by":"publisher","first-page":"1441","DOI":"10.1021\/acs.jpca.5b06532","article-title":"Kinetics and Products\nof the Reaction of the First-Generation Isoprene Hydroxy Hydroperoxide\n(ISOPOOH) with OH","volume":"120","author":"St. Clair","year":"2015","journal-title":"J. Phys. Chem. A"},{"key":"2026090307132954200_cit39","doi-asserted-by":"publisher","first-page":"1499","DOI":"10.1021\/jp021267i","article-title":"Kinetic Studies\non the Reactions of Hydroxyl Radicals with Cyclic Ethers and Aliphatic\nDiethers","volume":"107","author":"Moriarty","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"2026090307132954200_cit40","doi-asserted-by":"publisher","first-page":"2541","DOI":"10.1039\/f19817702541","article-title":"Gas-phase reactions of hydroxyl radicals\nwith aldehydes in flowing H2O2 + NO2 + CO mixtures","volume":"77","author":"Audley","year":"1981","journal-title":"J. Chem. Soc. Faraday Trans. 1 Phys. Chem. Condens. Phases"},{"key":"2026090307132954200_cit41","doi-asserted-by":"publisher","first-page":"7386","DOI":"10.1021\/jp061431s","article-title":"Kinetic Study\nof the Gas-Phase Reactions of OH and NO3-Radicals and O3 with Selected Vinyl Ethers","volume":"110","author":"Zhou","year":"2006","journal-title":"J. Phys.\nChem. 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