Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts
Abstract
The sensitivity of a chemical ionization mass spectrometer (ions formed per number density of analytes) is fundamentally limited by the collision frequency between reagent ions and analytes, known as the collision limit, the ion–molecule reaction time, and the transmission efficiency of product ions to the detector. We use the response of a time-of-flight chemical ionization mass spectrometer (ToF-CIMS) to N2O5, known to react with iodide at the collision limit, to constrain the combined effects of ion–molecule reaction time, which is strongly influenced by mixing and ion losses in the ion–molecule reaction drift tube. A mass spectrometric voltage scanning procedure elucidates the relative binding energies of the ion adducts, which influence the transmission efficiency of molecular ions through the electric fields within the vacuum chamber. Together, this information provides a critical constraint on the sensitivity of a ToF-CIMS towards a wide suite of routinely detected multifunctional organic molecules for which no calibration standards exist. We describe the scanning procedure and collision limit determination, and we show results from the application of these constraints to the measurement of organic aerosol composition at two different field locations.
- Authors:
- Publication Date:
- Research Org.:
- Univ. of Washington, Seattle, WA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1245630
- Alternate Identifier(s):
- OSTI ID: 1258742; OSTI ID: 1392631
- Grant/Contract Number:
- SC0006867; SC0011791
- Resource Type:
- Published Article
- Journal Name:
- Atmospheric Measurement Techniques (Online)
- Additional Journal Information:
- Journal Name: Atmospheric Measurement Techniques (Online) Journal Volume: 9 Journal Issue: 4; Journal ID: ISSN 1867-8548
- Publisher:
- Copernicus Publications, EGU
- Country of Publication:
- Germany
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; iodide adduct; chemical ionization; mass spectrometry; organic ion adducts
Citation Formats
Lopez-Hilfiker, Felipe D., Iyer, Siddarth, Mohr, Claudia, Lee, Ben H., D'Ambro, Emma L., Kurtén, Theo, and Thornton, Joel A. Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts. Germany: N. p., 2016.
Web. doi:10.5194/amt-9-1505-2016.
Lopez-Hilfiker, Felipe D., Iyer, Siddarth, Mohr, Claudia, Lee, Ben H., D'Ambro, Emma L., Kurtén, Theo, & Thornton, Joel A. Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts. Germany. https://doi.org/10.5194/amt-9-1505-2016
Lopez-Hilfiker, Felipe D., Iyer, Siddarth, Mohr, Claudia, Lee, Ben H., D'Ambro, Emma L., Kurtén, Theo, and Thornton, Joel A. Wed .
"Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts". Germany. https://doi.org/10.5194/amt-9-1505-2016.
@article{osti_1245630,
title = {Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts},
author = {Lopez-Hilfiker, Felipe D. and Iyer, Siddarth and Mohr, Claudia and Lee, Ben H. and D'Ambro, Emma L. and Kurtén, Theo and Thornton, Joel A.},
abstractNote = {The sensitivity of a chemical ionization mass spectrometer (ions formed per number density of analytes) is fundamentally limited by the collision frequency between reagent ions and analytes, known as the collision limit, the ion–molecule reaction time, and the transmission efficiency of product ions to the detector. We use the response of a time-of-flight chemical ionization mass spectrometer (ToF-CIMS) to N2O5, known to react with iodide at the collision limit, to constrain the combined effects of ion–molecule reaction time, which is strongly influenced by mixing and ion losses in the ion–molecule reaction drift tube. A mass spectrometric voltage scanning procedure elucidates the relative binding energies of the ion adducts, which influence the transmission efficiency of molecular ions through the electric fields within the vacuum chamber. Together, this information provides a critical constraint on the sensitivity of a ToF-CIMS towards a wide suite of routinely detected multifunctional organic molecules for which no calibration standards exist. We describe the scanning procedure and collision limit determination, and we show results from the application of these constraints to the measurement of organic aerosol composition at two different field locations.},
doi = {10.5194/amt-9-1505-2016},
journal = {Atmospheric Measurement Techniques (Online)},
number = 4,
volume = 9,
place = {Germany},
year = {Wed Apr 06 00:00:00 EDT 2016},
month = {Wed Apr 06 00:00:00 EDT 2016}
}
https://doi.org/10.5194/amt-9-1505-2016
Web of Science
Works referenced in this record:
High-resolution chemical ionization mass spectrometry (ToF-CIMS): application to study SOA composition and processing
journal, January 2013
- Aljawhary, D.; Lee, A. K. Y.; Abbatt, J. P. D.
- Atmospheric Measurement Techniques, Vol. 6, Issue 11
Development of Ion Drift-Chemical Ionization Mass Spectrometry
journal, September 2004
- Fortner, Edward C.; Zhao, Jun; Zhang, Renyi
- Analytical Chemistry, Vol. 76, Issue 18
A high-resolution mass spectrometer to measure atmospheric ion composition
journal, January 2010
- Junninen, H.; Ehn, M.; Petäjä, T.
- Atmospheric Measurement Techniques, Vol. 3, Issue 4
Chlorine activation by N 2 O 5 : simultaneous, in situ detection of ClNO 2 and N 2 O 5 by chemical ionization mass spectrometry
journal, January 2009
- Kercher, J. P.; Riedel, T. P.; Thornton, J. A.
- Atmospheric Measurement Techniques, Vol. 2, Issue 1
Known and Unexplored Organic Constituents in the Earth's Atmosphere
journal, March 2007
- Goldstein, Allen H.; Galbally, Ian E.
- Environmental Science & Technology, Vol. 41, Issue 5
In-situ measurement of atmospheric NO 3 and N 2 O 5 via cavity ring-down spectroscopy
journal, September 2001
- Brown, Steven S.; Stark, Harald; Ciciora, Steven J.
- Geophysical Research Letters, Vol. 28, Issue 17
Field-Deployable, High-Resolution, Time-of-Flight Aerosol Mass Spectrometer
journal, December 2006
- DeCarlo, Peter F.; Kimmel, Joel R.; Trimborn, Achim
- Analytical Chemistry, Vol. 78, Issue 24
A thermal dissociation laser-induced fluorescence instrument for in situ detection of NO 2 , peroxy nitrates, alkyl nitrates, and HNO 3 : DETECTION OF NO
journal, March 2002
- Day, D. A.; Wooldridge, P. J.; Dillon, M. B.
- Journal of Geophysical Research: Atmospheres, Vol. 107, Issue D6
Measurements of gas-phase inorganic and organic acids from biomass fires by negative-ion proton-transfer chemical-ionization mass spectrometry
journal, January 2010
- Veres, Patrick; Roberts, James M.; Burling, Ian R.
- Journal of Geophysical Research, Vol. 115, Issue D23
A Chemical Ionization High-Resolution Time-of-Flight Mass Spectrometer Coupled to a Micro Orifice Volatilization Impactor (MOVI-HRToF-CIMS) for Analysis of Gas and Particle-Phase Organic Species
journal, December 2012
- Yatavelli, Reddy L. N.; Lopez-Hilfiker, Felipe; Wargo, Julia D.
- Aerosol Science and Technology, Vol. 46, Issue 12
Modeling the Detection of Organic and Inorganic Compounds Using Iodide-Based Chemical Ionization
journal, January 2016
- Iyer, Siddharth; Lopez-Hilfiker, Felipe; Lee, Ben H.
- The Journal of Physical Chemistry A, Vol. 120, Issue 4
Analysis of the chemical composition of organic aerosol at the Mt. Sonnblick observatory using a novel high mass resolution thermal-desorption proton-transfer-reaction mass-spectrometer (hr-TD-PTR-MS)
journal, January 2010
- Holzinger, R.; Kasper-Giebl, A.; Staudinger, M.
- Atmospheric Chemistry and Physics, Vol. 10, Issue 20
Chemical ionisation mass spectrometry for the measurement of atmospheric amines
journal, January 2012
- Yu, Huan; Lee, Shan-Hu
- Environmental Chemistry, Vol. 9, Issue 3
Phase partitioning and volatility of secondary organic aerosol components formed from α-pinene ozonolysis and OH oxidation: the importance of accretion products and other low volatility compounds
journal, January 2015
- Lopez-Hilfiker, F. D.; Mohr, C.; Ehn, M.
- Atmospheric Chemistry and Physics, Vol. 15, Issue 14
A novel method for online analysis of gas and particle composition: description and evaluation of a Filter Inlet for Gases and AEROsols (FIGAERO)
journal, January 2014
- Lopez-Hilfiker, F. D.; Mohr, C.; Ehn, M.
- Atmospheric Measurement Techniques, Vol. 7, Issue 4
Reactions of SF6- and I- with Atmospheric Trace Gases
journal, April 1995
- Huey, L. Gregory; Hanson, David R.; Howard, Carleton J.
- The Journal of Physical Chemistry, Vol. 99, Issue 14
A thermal dissociation–chemical ionization mass spectrometry (TD-CIMS) technique for the simultaneous measurement of peroxyacyl nitrates and dinitrogen pentoxide
journal, January 2004
- Slusher, Darlene L.
- Journal of Geophysical Research, Vol. 109, Issue D19
A field-deployable, chemical ionization time-of-flight mass spectrometer
journal, January 2011
- Bertram, T. H.; Kimmel, J. R.; Crisp, T. A.
- Atmospheric Measurement Techniques, Vol. 4, Issue 7
A Chemical Ionization Mass Spectrometry Method for the Online Analysis of Organic Aerosols
journal, May 2004
- Hearn, John D.; Smith, Geoffrey D.
- Analytical Chemistry, Vol. 76, Issue 10
An experimental technique for the direct measurement of N 2 O 5 reactivity on ambient particles
journal, January 2009
- Bertram, T. H.; Thornton, J. A.; Riedel, T. P.
- Atmospheric Measurement Techniques, Vol. 2, Issue 1
A switchable reagent ion high resolution time-of-flight chemical ionization mass spectrometer for real-time measurement of gas phase oxidized species: characterization from the 2013 southern oxidant and aerosol study
journal, January 2015
- Brophy, P.; Farmer, D. K.
- Atmospheric Measurement Techniques, Vol. 8, Issue 7
Development of negative-ion proton-transfer chemical-ionization mass spectrometry (NI-PT-CIMS) for the measurement of gas-phase organic acids in the atmosphere
journal, July 2008
- Veres, Patrick; Roberts, James M.; Warneke, Carsten
- International Journal of Mass Spectrometry, Vol. 274, Issue 1-3
An Iodide-Adduct High-Resolution Time-of-Flight Chemical-Ionization Mass Spectrometer: Application to Atmospheric Inorganic and Organic Compounds
journal, May 2014
- Lee, Ben H.; Lopez-Hilfiker, Felipe D.; Mohr, Claudia
- Environmental Science & Technology, Vol. 48, Issue 11
Atmospheric sulphuric acid and neutral cluster measurements using CI-APi-TOF
journal, January 2012
- Jokinen, T.; Sipilä, M.; Junninen, H.
- Atmospheric Chemistry and Physics, Vol. 12, Issue 9
An online ultra-high sensitivity Proton-transfer-reaction mass-spectrometer combined with switchable reagent ion capability (PTR+SRI−MS)
journal, September 2009
- Jordan, A.; Haidacher, S.; Hanel, G.
- International Journal of Mass Spectrometry, Vol. 286, Issue 1
Atmospheric amines and ammonia measured with a chemical ionization mass spectrometer (CIMS)
journal, January 2014
- You, Y.; Kanawade, V. P.; de Gouw, J. A.
- Atmospheric Chemistry and Physics, Vol. 14, Issue 22