Quantification of isomer-resolved iodide chemical ionization mass spectrometry sensitivity and uncertainty using a voltage-scanning approach

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dc.contributor.authorBi, Chenyangen
dc.contributor.authorKrechmer, Jordan E.en
dc.contributor.authorFrazier, Graham O.en
dc.contributor.authorXu, Wenen
dc.contributor.authorLambe, Andrew T.en
dc.contributor.authorClaflin, Megan S.en
dc.contributor.authorLerner, Brian M.en
dc.contributor.authorJayne, John T.en
dc.contributor.authorWorsnop, Douglas R.en
dc.contributor.authorCanagaratna, Manjula R.en
dc.contributor.authorIsaacman-VanWertz, Gabrielen
dc.date.accessioned2022-03-22T11:56:26Zen
dc.date.available2022-03-22T11:56:26Zen
dc.date.issued2021-10-25en
dc.description.abstractChemical ionization mass spectrometry (CIMS) using iodide as a reagent ion has been widely used to classify organic compounds in the atmosphere by their elemental formula. Unfortunately, calibration of these instruments is challenging due to a lack of commercially available standards for many compounds, which has led to the development of methods for estimating CIMS sensitivity. By coupling a thermal desorption aerosol gas chromatograph (TAG) simultaneously to a flame ionization detector (FID) and an iodide CIMS, we use the individual particle-phase analytes, quantified by the FID, to examine the sensitivity of the CIMS and its variability between isomers of the same elemental formula. Iodide CIMS sensitivities of isomers within a formula are found to generally vary by 1 order of magnitude with a maximum deviation of 2 orders of magnitude. Furthermore, we compare directly measured sensitivity to a method of estimating sensitivity based on declustering voltage (i.e., "voltage scanning"). This approach is found to carry high uncertainties for individual analytes (0.5 to 1 order of magnitude) but represents a central tendency that can be used to estimate the sum of analytes with reasonable error (similar to 30% differences between predicted and measured moles). Finally, gas chromatography (GC) retention time, which is associated with vapor pressure and chemical functionality of an analyte, is found to qualitatively correlate with iodide CIMS sensitivity, but the relationship is not close enough to be quantitatively useful and could be explored further in the future as a potential calibration approach.en
dc.description.notesThis research has been supported by the Alfred P. Sloan Foundation (grant no. P-2018-11129).en
dc.description.sponsorshipAlfred P. Sloan FoundationAlfred P. Sloan Foundation [P-2018-11129]en
dc.description.versionPublished versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.doihttps://doi.org/10.5194/amt-14-6835-2021en
dc.identifier.eissn1867-8548en
dc.identifier.issn1867-1381en
dc.identifier.issue10en
dc.identifier.urihttp://hdl.handle.net/10919/109386en
dc.identifier.volume14en
dc.language.isoenen
dc.rightsCreative Commons Attribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en
dc.titleQuantification of isomer-resolved iodide chemical ionization mass spectrometry sensitivity and uncertainty using a voltage-scanning approachen
dc.title.serialAtmospheric Measurement Techniquesen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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