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dc.contributor.authorSteimer, Sarahen
dc.contributor.authorKourtchev, Ien
dc.contributor.authorKalberer, Markusen
dc.date.accessioned2017-05-19T09:17:14Z
dc.date.available2017-05-19T09:17:14Z
dc.date.issued2017-03-07en
dc.identifier.issn0003-2700
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/264308
dc.description.abstractA significant fraction of atmospheric aerosol particles is composed of organic material with a highly complex but poorly characterized composition. For a better understanding of aerosol effects and processes in the atmosphere, a more detailed knowledge of aerosol components at a molecular level is needed. Peroxy acids might play a significant role in particle toxicity, due to their oxidizing properties, and they were recently found to be involved in particle formation. Because of the lack of appropriate standards, the identification and quantification of peroxy acids is often highly uncertain. Mass spectrometry (MS) is a powerful tool to characterize unidentified compounds in complex mixtures. However, so far there is only little information regarding the ionization and fragmentation behavior of peroxy acids in mass spectrometers. To study their fragmentation patterns, we synthesized 12 peroxy acids with C$_{8}$ to C$_{10}$ carbon backbones and mono- or diperoxy acid functionality. The peroxy acids were separated using liquid chromatography, detected via negative mode electrospray ionization high-resolution MS, and their fragmentation patterns (MS/MS spectra) were identified. The MS/MS spectra of the peroxy acids showed fragmentation patterns clearly different from the corresponding acid, with a strong similarity between compounds of different chain length but analogous functional groups. Neutral loss of CH$_{2}$O$_{2}$ was observed for all investigated linear peroxy acids but not for carboxylic acids and could therefore serve as a diagnostic ion for peroxy acids. The obtained results are a large step toward unambiguous characterization of peroxy acids in the atmosphere.
dc.description.sponsorshipThis work was supported by ERC grant no. 279405. S.S.S. acknowledges support from the Swiss National Science Foundation (project no. 162258).
dc.languageengen
dc.language.isoenen
dc.publisherAmerican Chemical Society
dc.titleMass Spectrometry Characterization of Peroxycarboxylic Acids as Proxies for Reactive Oxygen Species and Highly Oxygenated Molecules in Atmospheric Aerosolsen
dc.typeArticle
prism.endingPage2879
prism.issueIdentifier5en
prism.publicationDate2017en
prism.publicationNameAnalytical Chemistryen
prism.startingPage2873
prism.volume89en
dc.identifier.doi10.17863/CAM.9776
dcterms.dateAccepted2017-01-25en
rioxxterms.versionofrecord10.1021/acs.analchem.6b04127en
rioxxterms.versionAMen
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2017-03-07en
dc.contributor.orcidSteimer, Sarah [0000-0002-1955-9467]
dc.contributor.orcidKalberer, Markus [0000-0001-8885-6556]
dc.identifier.eissn1520-6882
rioxxterms.typeJournal Article/Reviewen
pubs.funder-project-idEuropean Research Council (279405)
cam.issuedOnline2017-01-25en
rioxxterms.freetoread.startdate2018-01-25


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