Ion mobility spectrometry–mass spectrometry (IMS–MS) for on- and offline analysis of atmospheric gas and aerosol species

Krechmer, Jordan E.; Groessl, Michael; Zhang, Xuan; Junninen, Heikki; Massoli, Paola; Lambe, Andrew T.; Kimmel, Joel R.; Cubison, Michael J.; Graf, Stephan; Lin, Ying -Hsuan; Budisulistiorini, Sri H.; Zhang, Haofei; Surratt, Jason D.; Knochenmuss, Richard; Jayne, John T.; Worsnop, Douglas R.; Jimenez, Jose -Luis; Canagaratna, Manjula R.

doi:10.5194/amt-9-3245-2016

Title: Ion mobility spectrometry–mass spectrometry (IMS–MS) for on- and offline analysis of atmospheric gas and aerosol species

Journal Article · 25 July 2016 · Atmospheric Measurement Techniques (Online)

DOI: https://doi.org/10.5194/amt-9-3245-2016 · OSTI ID:1271467

Krechmer, Jordan E. ^[1]; Groessl, Michael ^[2]; Zhang, Xuan ^[3]; Junninen, Heikki ^[4]; Massoli, Paola ^[3]; Lambe, Andrew T. ^[5]; Kimmel, Joel R. ^[6]; Cubison, Michael J. ^[2]; Graf, Stephan ^[2]; Lin, Ying -Hsuan ^[7]; Budisulistiorini, Sri H. ^[8]; Zhang, Haofei ^[9]; Surratt, Jason D. ^[10]; Knochenmuss, Richard ^[2]; Jayne, John T. ^[3]; Worsnop, Douglas R. ^[11]; Jimenez, Jose -Luis ^[1]; Canagaratna, Manjula R. ^[3]

Cooperative Institute for Research in Environmental Sciences (CIRES), Boulder, CO (United States); Univ. of Colorado, Boulder, CO (United States)
TOFWERK, Thun (Switzerland)
Aerodyne Research, Billerica, MA (United States)
Univ. of Helsinki, Helsinki (Finland)
Aerodyne Research, Billerica, MA (United States); Boston College, Chestnut Hill, MA (United States)
TOFWERK, Thun (Switzerland); Aerodyne Research, Billerica, MA (United States)
The Univ. of North Carolina, Chapel Hill, NC (United States); Univ. of Michigan, Ann Arbor, MI (United States)
The Univ. of North Carolina, Chapel Hill, NC (United States); Nanyang Technological Univ. (Singapore)
The Univ. of North Carolina, Chapel Hill, NC (United States); Univ. of California, Berkeley, CA (United States)
The Univ. of North Carolina, Chapel Hill, NC (United States)
Aerodyne Research, Billerica, MA (United States); Univ. of Helsinki, Helsinki (Finland)

Measurement techniques that provide molecular-level information are needed to elucidate the multiphase processes that produce secondary organic aerosol (SOA) species in the atmosphere. Here we demonstrate the application of ion mobility spectrometry-mass spectrometry (IMS–MS) to the simultaneous characterization of the elemental composition and molecular structures of organic species in the gas and particulate phases. Molecular ions of gas-phase organic species are measured online with IMS–MS after ionization with a custom-built nitrate chemical ionization (CI) source. This CI–IMS–MS technique is used to obtain time-resolved measurements (5 min) of highly oxidized organic molecules during the 2013 Southern Oxidant and Aerosol Study (SOAS) ambient field campaign in the forested SE US. The ambient IMS–MS signals are consistent with laboratory IMS–MS spectra obtained from single-component carboxylic acids and multicomponent mixtures of isoprene and monoterpene oxidation products. Mass-mobility correlations in the 2-D IMS–MS space provide a means of identifying ions with similar molecular structures within complex mass spectra and are used to separate and identify monoterpene oxidation products in the ambient data that are produced from different chemical pathways. Water-soluble organic carbon (WSOC) constituents of fine aerosol particles that are not resolvable with standard analytical separation methods, such as liquid chromatography (LC), are shown to be separable with IMS–MS coupled to an electrospray ionization (ESI) source. The capability to use ion mobility to differentiate between isomers is demonstrated for organosulfates derived from the reactive uptake of isomers of isoprene epoxydiols (IEPOX) onto wet acidic sulfate aerosol. As a result, controlled fragmentation of precursor ions by collisionally induced dissociation (CID) in the transfer region between the IMS and the MS is used to validate MS peak assignments, elucidate structures of oligomers, and confirm the presence of the organosulfate functional group.

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Research Organization:: Boston College, Chestnut Hill, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: SC0011935; SC001110

OSTI ID:: 1271467

Alternate ID(s):: OSTI ID: 1360128

Journal Information:: Atmospheric Measurement Techniques (Online), Vol. 9, Issue 7; ISSN 1867-8548

Publisher:: European Geosciences UnionCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 54 works

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Low-Molecular-Weight and Oligomeric Components in Secondary Organic Aerosol from the Ozonolysis of Cycloalkenes and α-Pinene Gao, Song; Keywood, Melita; Ng, Nga L. The Journal of Physical Chemistry A, Vol. 108, Issue 46 https://doi.org/10.1021/jp047466e	journal	November 2004
Gas Phase Production and Loss of Isoprene Epoxydiols Bates, Kelvin H.; Crounse, John D.; St. Clair, Jason M. The Journal of Physical Chemistry A, Vol. 118, Issue 7 https://doi.org/10.1021/jp4107958	journal	February 2014
Organosulfate Formation in Biogenic Secondary Organic Aerosol Surratt, Jason D.; Gómez-González, Yadian; Chan, Arthur W. H. The Journal of Physical Chemistry A, Vol. 112, Issue 36 https://doi.org/10.1021/jp802310p	journal	September 2008
A large source of low-volatility secondary organic aerosol Ehn, Mikael; Thornton, Joel A.; Kleist, Einhard Nature, Vol. 506, Issue 7489 https://doi.org/10.1038/nature13032	journal	February 2014
Reactive intermediates revealed in secondary organic aerosol formation from isoprene Surratt, J. D.; Chan, A. W. H.; Eddingsaas, N. C. Proceedings of the National Academy of Sciences, Vol. 107, Issue 15 https://doi.org/10.1073/pnas.0911114107	journal	December 2009
Technical Note: Synthesis of isoprene atmospheric oxidation products: isomeric epoxydiols and the rearrangement products cis- and trans-3-methyl-3,4-dihydroxytetrahydrofuran H., Zhang,; D., Surratt, J.; Z., Zhang, The University of North Carolina at Chapel Hill University Libraries https://doi.org/10.17615/h30e-ze98	text	January 2012
Aerosol mass spectrometer constraint on the global secondary organic aerosol budget Spracklen, D. V.; Jimenez, J. L.; Carslaw, K. S. Atmospheric Chemistry and Physics, Vol. 11, Issue 23 https://doi.org/10.5194/acp-11-12109-2011	journal	January 2011
The AeroCom evaluation and intercomparison of organic aerosol in global models Tsigaridis, K.; Daskalakis, N.; Kanakidou, M. Atmospheric Chemistry and Physics Discussions, Vol. 14, Issue 5 https://doi.org/10.5194/acpd-14-6027-2014	journal	January 2014

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