Chemical ionization mass spectrometry of nonvolatile organic compounds

1979 ◽  
Vol 51 (11) ◽  
pp. 1858-1860 ◽  
Author(s):  
D. I. Carroll ◽  
I. Dzidic ◽  
M. G. Horning ◽  
F. E. Montgomery ◽  
J. G. Nowlin ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Organic Compounds ◽  
Chemical Ionization ◽  
Ionization Mass Spectrometry ◽  
Chemical Ionization Mass Spectrometry ◽  
Ionization Mass

scholarly journals Application of high resolution Chemical Ionization Mass Spectrometry (CI-ToFMS) to study SOA composition: focus on formation of oxygenated species via aqueous phase processing

2013 ◽  
Vol 6 (4) ◽  
pp. 6147-6186 ◽  
Author(s):  
D. Aljawhary ◽  
A. K. Y. Lee ◽  
J. P. D. Abbatt
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Organic Compounds ◽  
Chemical Ionization ◽  
Water Clusters ◽  
Chemical Change ◽  
Organic Aerosol ◽  
Ionization Mass Spectrometry ◽  
Chemical Ionization Mass Spectrometry ◽  
Ionization Mass

Abstract. This paper demonstrates the capabilities of Chemical Ionization Mass Spectrometry (CIMS) to study secondary organic aerosol (SOA) composition with a high resolution (HR) time-of-flight mass analyzer (aerosol-CI-ToFMS). In particular, by studying aqueous oxidation of Water Soluble Organic Compounds (WSOC) extracted from α-pinene ozonolysis SOA, we assess the capabilities of three common CIMS reagent ions: (a) protonated water clusters (H2O)nH+, (b) acetate CH3C(O)O− and (c) iodide water clusters I(H2O)n− to monitor SOA composition. As well, we report the relative sensitivity of these reagent ions to a wide range of common organic aerosol constituents. We find that (H2O)nH+ is more selective to the detection of less oxidized species, so that the range of O/C and OSC (carbon oxidation state) in the SOA spectra is considerably lower than those measured using CH3C(O)O− and I(H2O)n−. Specifically, (H2O)nH+ ionizes organic compounds with OSC ≤ 1.3, whereas CH3C(O)O− and I(H2O)n− both ionize highly oxygenated organics with OSC up to 4 with I(H2O)n− being more selective towards multi-functional organic compounds. In the bulk O/C and H/C space, i.e. in a Van Krevelen plot, there is a remarkable agreement in both absolute magnitude and oxidation trajectory between CI-ToFMS data and those from a high resolution aerosol mass spectrometer (HR-AMS). This indicates that the CI-ToFMS data captures much of the chemical change occurring in the particle and that gas phase species, which are not detected by the HR-AMS, do not dominate the overall ion signal. Finally, the data illustrate the capability of aerosol-CI-ToFMS to monitor specific chemical change, including the fragmentation and functionalization reactions that occur during organic oxidation, and the oxidative conversion of dimeric SOA species into monomers. Overall, aerosol-CI-ToFMS is a valuable, selective complement to some common SOA characterization methods, such as AMS and spectroscopic techniques. Both laboratory and ambient SOA samples can be analyzed using the techniques illustrated in the paper.

scholarly journals Low-pressure gas chromatography with chemical ionization mass spectrometry for quantification of multifunctional organic compounds in the atmosphere

2018 ◽  
Vol 11 (12) ◽  
pp. 6815-6832 ◽  
Author(s):  
Krystal T. Vasquez ◽  
Hannah M. Allen ◽  
John D. Crounse ◽  
Eric Praske ◽  
Lu Xu ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Organic Compounds ◽  
Chemical Ionization ◽  
Field Studies ◽  
Ionization Mass Spectrometry ◽  
Chemical Ionization Mass Spectrometry ◽  
Organic Nitrates ◽  
Ionization Mass ◽  
Wide Range

Abstract. Oxygenated volatile organic compounds (OVOCs) are formed during the oxidation of gas-phase hydrocarbons in the atmosphere. However, analytical challenges have hampered ambient measurements for many of these species, leaving unanswered questions regarding their atmospheric fate. We present the development of an in situ gas chromatography (GC) technique that, when combined with the sensitive and specific detection of chemical ionization mass spectrometry (CIMS), is capable of the isomer-resolved detection of a wide range of OVOCs. The instrument addresses many of the issues typically associated with chromatographic separation of such compounds (e.g., analyte degradation). The performance of the instrumentation is assessed through data obtained in the laboratory and during two field studies. We show that this instrument is able to successfully measure otherwise difficult-to-quantify compounds (e.g., organic hydroperoxides and organic nitrates) and observe the diurnal variations in a number of their isomers.

scholarly journals High-resolution chemical ionization mass spectrometry (ToF-CIMS): application to study SOA composition and processing

2013 ◽  
Vol 6 (11) ◽  
pp. 3211-3224 ◽  
Author(s):  
D. Aljawhary ◽  
A. K. Y. Lee ◽  
J. P. D. Abbatt
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Organic Compounds ◽  
Chemical Ionization ◽  
Water Clusters ◽  
Chemical Change ◽  
Organic Aerosol ◽  
Ionization Mass Spectrometry ◽  
Chemical Ionization Mass Spectrometry ◽  
Ionization Mass

Abstract. This paper demonstrates the capabilities of chemical ionization mass spectrometry (CIMS) to study secondary organic aerosol (SOA) composition with a high-resolution (HR) time-of-flight mass analyzer (aerosol-ToF-CIMS). In particular, by studying aqueous oxidation of water-soluble organic compounds (WSOC) extracted from α-pinene ozonolysis SOA, we assess the capabilities of three common CIMS reagent ions: (a) protonated water clusters (H2O)nH+, (b) acetate CH3C(O)O− and (c) iodide water clusters I(H2O)n− to monitor SOA composition. Furthermore, we report the relative sensitivity of these reagent ions to a wide range of common organic aerosol constituents. We find that (H2O)nH+ is more selective to the detection of less oxidized species, so that the range of O / C and OSC (carbon oxidation state) in the SOA spectra is considerably lower than those measured using CH3C(O)O− and I(H2O)n−. Specifically, (H2O)nH+ ionizes organic compounds with OSC ≤ 1.3, whereas CH3C(O)O− and I(H2O)n− both ionize highly oxygenated organics with OSC up to 4 with I(H2O)n− being more selective towards multi-functional organic compounds. In the bulk O / C and H / C space (in a Van Krevelen plot), there is a remarkable agreement in both absolute magnitude and oxidation trajectory between ToF-CIMS data and those from a high-resolution aerosol mass spectrometer (HR-AMS). Despite not using a sensitivity-weighted response for the ToF-CIMS data, the CIMS approach appears to capture much of the chemical change occurring. As demonstrated by the calibration experiments with standards, this is likely because there is not a large variability in sensitivities from one highly oxygenated species to another, particularly for the CH3C(O)O− and I(H2O)n− reagent ions. Finally, the data illustrate the capability of aerosol-ToF-CIMS to monitor specific chemical change, including the fragmentation and functionalization reactions that occur during organic oxidation, and the oxidative conversion of dimeric SOA species into monomers. Overall, aerosol-ToF-CIMS is a valuable, selective complement to some common SOA characterization methods, such as AMS and spectroscopic techniques. Both laboratory and ambient SOA samples can be analyzed using the techniques illustrated in the paper.

scholarly journals Low-pressure gas chromatography with chemical ionization mass spectrometry for quantification of multifunctional organic compounds in the atmosphere

2018 ◽  
Author(s):  
Krystal T. Vasquez ◽  
Hannah M. Allen ◽  
John D. Crounse ◽  
Eric Praske ◽  
Lu Xu ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Organic Compounds ◽  
Chemical Ionization ◽  
Field Studies ◽  
Ionization Mass Spectrometry ◽  
Chemical Ionization Mass Spectrometry ◽  
Organic Nitrates ◽  
Ionization Mass ◽  
Wide Range

Abstract. Oxygenated volatile organic compounds (OVOCs) are formed during the oxidation of gas phase hydrocarbons in the atmosphere. However, analytical challenges have hampered ambient measurements for many of these species, leaving unanswered questions regarding their atmospheric fate. We present the development of an in situ gas chromatography (GC) technique that, when combined with the sensitive and specific detection of chemical ionization mass spectrometry (CIMS), is capable of the isomer-resolved detection of a wide range of OVOCs by addressing several issues typically associated with chromatographic separation of such compounds (e.g., analyte degradation). The performance of this instrumentation is assessed through data obtained in the laboratory and during two field studies. We show that this instrument is able to successfully measure otherwise difficult-to-quantify compounds (e.g., organic hydroperoxides and organic nitrates) and observe the diurnal variations of a number of their isomers.

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