Quantification of hydroxyacetone and glycolaldehyde using chemical ionization mass spectrometry

Atmospheric Chemistry and Physics

Volumn 14, Issue 8, 2014, Pages 4251-4262

  St Clair, J M ^a   Spencer, K M ^b   Beaver, M R ^a,d   Crounse, J D ^a   Paulot, F ^c,e   Wennberg, P O ^a,c  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b California Institute of Technology   (United States)

^c California Institute of Technology   (United States)

^d U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^e PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID; ATMOSPHERIC CHEMISTRY; ATMOSPHERIC PLUME; BIOMASS BURNING; ION; IONIZATION; MASS SPECTROMETRY; OXIDATION; VOLATILE ORGANIC COMPOUND;

EID: 84899706841     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-14-4251-2014     Document Type: Article

References (60)

1. Akagi, S. K., Yokelson, R. J., Wiedinmyer, C., Alvarado, M. J., Reid, J. S., Karl, T., Crounse, J. D., and Wennberg, P. O.: Emission factors for open and domestic biomass burning for use in atmospheric models, Atmos. Chem. Phys., 11, 4039-4072, doi:10.5194/acp-11-4039-2011, 2011.
2. Akagi, S. K., Craven, J. S., Taylor, J.W., McMeeking, G. R., Yokelson, R. J., Burling, I. R., Urbanski, S. P., Wold, C. E., Seinfeld, J. H., Coe, H., Alvarado, M. J., and Weise, D. R.: Evolution of trace gases and particles emitted by a chaparral fire in California, Atmos. Chem. Phys., 12, 1397-1421, doi:10.5194/acp-12-1397-2012, 2012.
3. Amelynck, C., Van Bavel, A. M., Schoon, N., and Arijs, E.: Gas phase reactions of CF3O? and CF3O? · H2O and their relevance to the detection of stratospheric HCl, Int. J. Mass Spectrom., 202, 207-216, 2000a.
4. Amelynck, C., Schoon, N., and Arijs, E.: Gas phase reactions of CF3O?and CF3O? ·H2O with nitric, formic, and acetic acid, Int. J. Mass Spectrom., 203, 165-175, 2000b.
5. Atkinson, R., and Arey, J.: Gas-phase tropospheric chemistry of biogenic volatile organic compounds: A review, Atmos. Environ., 37, S197-S219, doi:10.1016/S1352-2310(03)00391-1, 2003. (Pubitemid 37103155)
6. Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., and Troe, J.: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I-gas phase reactions of Ox, HOx, NOx and SOx species, Atmos. Chem. Phys., 4, 1461-1738, doi:10.5194/acp-4-1461-2004, 2004.
7. Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., and Troe, J.: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II-gas phase reactions of organic species, Atmos. Chem. Phys., 6, 3625-4055, doi:10.5194/acp-6-3625-2006, 2006. (Pubitemid 44369557)
8. Baker, B., Guenther, A., Greenberg, J., Goldstein, A., and Fall, R.: Canopy fluxes of 2-methyl-3-buten-2-ol over a ponderosa pine forest by relaxed eddy accumulation: Field data and model comparison, J. Geophys. Res.-Atmos., 104, 26107-26114, 1999.
9. Bates, H. B., Crounse, J. D., St. Clair, J. M., Bennett, N. B., Nguyen, T. B., Seinfeld, J. H., Stoltz, B. M., and Wennberg, P. O.: Gas phase production and loss of isoprene epoxydiols, J. Phys. Chem. A, 118, 1237-1246, doi:10.1021/jp4107958, 2014.
10. Butkovskaya, N. I., Pouvesle, N., Kukui, A., and Le Bra, G.: Mechanism of the OH-initiated oxidation of glycolaldehyde over the temperature range 233-296 K, J. Phys. Chem. A, 110, 13492-13499, doi:10.1021/JP064993K, 2006a. (Pubitemid 46196885)
11. Butkovskaya, N. I., Pouvesle, N., Kukui, A., Mu, Y. J., and Le Bras, G.: Mechanism of the OH-initiated oxidation of hydroxyacetone over the temperature range 236-298 K, J. Phys. Chem. A, 110, 6833-6843, doi:10.1021/JP056345R, 2006b. (Pubitemid 43953062)
12. Chameides, W. L., Lindsay, R. W., Richardson, J., and Kiang, C. S.: The role of biogenic hydrocarbons in urban photochemical smog: Atlanta as a case study, Science, 241, 1473-1475, 1988. (Pubitemid 19301803)
13. Chan, A. W. H., Galloway, M. M., Kwan, A. J., Chhabra, P. S., Keutsch, F. N., Wennberg, P. O., Flagan, R. C., and Seinfeld, J. H.: Photooxidation of 2-Methyl-3-Buten-2-ol (MBO) as a potential source of secondary organic aerosol, Environ. Sci. Technol., 43, 4647-4652, doi:10.1021/ES802560W, 2009.
14. Crounse, J. D., McKinney, K. A., Kwan, A. J., andWennberg, P. O.: Measurement of gas-phase hydroperoxides by chemical ionization mass spectrometry, Anal. Chem., 78, 6726-6732, 2006. (Pubitemid 44522521)
15. Crounse, J. D., DeCarlo, P. F., Blake, D. R., Emmons, L. K., Campos, T. L., Apel, E. C., Clarke, A. D., Weinheimer, A. J., Mc-Cabe, D. C., Yokelson, R. J., Jimenez, J. L., and Wennberg, P. O.: Biomass burning and urban air pollution over the Central Mexican Plateau, Atmos. Chem. Phys., 9, 4929-4944, doi:10.5194/acp-9-4929-2009, 2009.
16. Crounse, J. D., Knap, H. C., Ornso, K. B, Jorgensen, S., Paulot, F., Kjaergaard, H. G., and : Atmospheric fate of methacrolein. 1. peroxy radical isomerization following addition of OH and O2, J. Phys. Chem. A, 9, 5756-5762, doi:10.1021/jp211560u, 2012.
17. Dibble, T. S.: Intramolecular hydrogen bonding and double H-atom transfer in peroxy and alkoxy radicals from isoprene, J. Phys. Chem. A, 108, 2199-2207, doi:10.1021/JP0306702, 2004a.
18. Dibble, T. S.: Prompt chemistry of alkenoxy radical products of the double H-atom transfer of alkoxy radicals from isoprene, J. Phys. Chem. A, 108, 2208-2215, doi:10.1021/JP0312161, 2004b.
19. Dreyfus, G. B., Schade, G. W., and Goldstein, A. H.: Observational constraints on the contribution of isoprene oxidation to ozone production on the western slope of the Sierra Nevada, California, J. Geophys. Res.-Atmos., 107, 4365, doi:10.1029/2001JD001490, 2002. (Pubitemid 43206215)
20. Galloway, M. M., Huisman, A. J., Yee, L. D., Chan, A.W. H., Loza, C. L., Seinfeld, J. H., and Keutsch, F. N.: Yields of oxidized volatile organic compounds during the OH radical initiated oxidation of isoprene, methyl vinyl ketone, and methacrolein under high NOx conditions, Atmos. Chem. Phys., 11, 10779-10790, doi:10.5194/acp-11-10779-2011, 2011.
21. Goldan, P. D., Kuster,W. C., Fehsenfeld, F. C., and Montzka, S. A.: The observation of a C5 alcohol emission in a North American pine forest, Geophysical Research Letters, 20, 1039-1042, 1993. (Pubitemid 24392838)
22. Goldstein, A. H., Hultman, N. E., Fracheboud, J. M., Bauer, M. R., Panek, J. A., Xu, M., Qi, Y., Guenther, A. B., and Baugh, W.: Effects of climate variability on the carbon dioxide, water, and sensible heat fluxes above a ponderosa pine plantation in the Sierra Nevada (CA), Agr. Forest Meteorol., 101, 113-129, 2000. (Pubitemid 30144334)
23. Gray, D. W., Goldstein, A. H., and Lerdau, M. T.: The influence of light environment on photosynthesis and basal methylbutenol emission from Pinus ponderosa, Plant Cell Environ., 28, 1463-1474, 2005.
24. Griffith, D. W. T.: Synthetic calibration and quantitative analysis of gas-phase FT-IR spectra, Appl. Spectrosc., 50, 59-70, 1996. (Pubitemid 126587905)
25. Grosjean, D.,Williams, E. L., and Grosjean, E.: Atmospheric chemistry of isoprene and of its carbonyl products, Environ. Sci. Technol., 27, 830-840, 1993.
26. Guenther, A., Hewitt, C. N., Erickson, D., Fall, R., Geron, C., Graedel, T., Harley, P., Klinger, L., Lerdau, M., McKay, W. A., Pierce, T., Scholes, B., Steinbrecher, R., Tallamraju, R., Taylor, J., and Zimmerman, P.: A global-model of natural volatile organic-compound emissions, J. Geophys. Res.-Atmos., 100, 8873-8892, 1995. (Pubitemid 26439580)
27. Harley, P., Fridd-Stroud, V., Greenberg, J., Guenther, A., and Vasconcellos, P.: Emission of 2-methyl-3-buten-2-ol by pines: A potentially large natural source of reactive carbon to the atmosphere, J. Geophys. Res.-Atmos., 103, 25479-25486, 1998. (Pubitemid 128700095)
28. Hornbrook, R. S., Blake, D. R., Diskin, G. S., Fuelberg, H. E., Meinardi, S., Mikoviny, T., Sachse, G. W., Vay, S. A., Weinheimer, A. J., Wiedinmyer, C., Wisthaler, A., Hills, A., Riemer, D. D., and Apel, E. C.: Observations of volatile organic compounds during ARCTAS-Part 1: Biomass burning emissions and plume enhancements, Atmos. Chem. Phys., 11, 11103-11130, doi:10.5194/acp-11- 11103-2011, 2011.
29. Huey, L. G., Villalta, P. W., Dunlea, E. J., Hanson, D. R., and Howard, C. J.: Reactions of CF3O? with atmospheric trace gases, J. Phys. Chem., 100, 190-194, 1996. (Pubitemid 126817253)
30. Jenkin, M. E., Saunders, S. M., and Pilling, M. J.: The tropospheric degradation of volatile organic compounds: A protocol for mechanism development, Atmos. Environ., 31, 81-104, 1997.
31. Johnson, T. J., Sams, R. L., Profeta, L. T. M., Akagi, S. K., Burling, I. R., Yokelson, R. J., Williams, S. D.: Quantitative IR spectrum and vibrational assignments for glycolaldehyde vapor: glycolaldehyde measurements in biomass burning plumes, J. Phys. Chem. A, 117, 4096-4107, doi:/10.1021/jp311945p, 2013.
32. Karl, T., Guenther, A., Turnipseed, A., Tyndall, G., Artaxo, P., and Martin, S.: Rapid formation of isoprene photo-oxidation products observed in Amazonia, Atmos. Chem. Phys., 9, 7753-7767, doi:10.5194/acp-9-7753-2009, 2009.
33. Kroll, J. H., Ng, N. L., Murphy, S. M., Flagan, R. C., and Seinfeld, J. H.: Secondary organic aerosol formation from isoprene photooxidation, Environ. Sci. Technol., 40, 1869-1877, doi:10.1021/ES0524301, 2006.
34. Lamanna, M. S., and Goldstein, A. H.: In situ measurements of C2-C10 volatile organic compounds above a Sierra Nevada ponderosa pine plantation, J. Geophys. Res.-Atmos., 104, 21247-21262, 1999.
35. Lee, Y. N., and Zhou, X. L.: Method for the determination of some soluble atmospheric carbonyl compounds, Environ. Sci. Technol., 27, 749-756, 1993.
36. Lee, Y. N., Zhou, X. L., and Hallock, K.: Atmospheric carbonyl compounds at a rural Southeastern U.S. site, J. Geophys. Res.-Atmos., 100, 25933-25944, 1995.
37. Li, Q. B., Jacob, D. J., Yantosca, R. M., Heald, C. L., Singh, H. B., Koike, M., Zhao, Y. J., Sachse, G. W., and Streets, D. G.: A global three-dimensional model analysis of the atmospheric budgets of HCN and CH3CN: Constraints from aircraft and ground measurements, J. Geophys. Res.-Atmos., 108, 8827, doi:10.1029/2002JD003075, 2003.
38. Matsunaga, S., Mochida, M., and Kawamura, K.: Growth of organic aerosols by biogenic semi-volatile carbonyls in the forestal atmosphere, Atmos. Environ., 37, 2045-2050, doi:10.1016/S1352-2310(03)00089-X, 2003. (Pubitemid 36407468)
39. Moortgat, G. K., Grossmann, D., Boddenberg, A., Dallmann, G., Ligon, A. P., Turner, W. V., Gab, S., Slemr, F., Wieprecht, W., Acker, K., Kibler, M., Schlomski, S., and Bachmann, K.: Hydrogen peroxide, organic peroxides and higher carbonyl compounds determined during the BERLIOZ campaign, J. Atmos. Chem., 42, 443-463, 2002. (Pubitemid 34692807)
40. Niki, H., Maker, P. D., Savage, C. M., and Hurley, M. D.: Fourier transform infrared study of the kinetics and mechanisms for the Cl-atom-and HO-radical-initiated oxidation of glycolaldehyde, J. Phys. Chem., 91, 2174-2178, 1987.
41. Orlando, J. J., Tyndall, G. S., Fracheboud, J. M., Estupinan, E. G., Haberkorn, S., and Zimmer, A.: The rate and mechanism of the gas-phase oxidation of hydroxyacetone, Atmos. Environ., 33, 1621-1629, 1999. (Pubitemid 29125522)
42. Paulson, S. E., Flagan, R. C., and Seinfeld, J. H.: Atmospheric photooxidation of isoprene Part 1: The hydroxyl radical and groundstate atomic oxygen reactions, Int. J. Chem. Kin., 24, 79-101, 1992.
43. Paulot, F., Crounse, J. D., Kjaergaard, H. G., Kroll, J. H., Seinfeld, J. H., and Wennberg, P. O.: Isoprene photooxidation: New insights into the production of acids and organic nitrates, Atmos. Chem. Phys., 9, 1479-1501, doi:10.5194/acp-9-1479-2009, 2009a.
44. Paulot, F., Crounse, J. D., Kjaergaard, H. G., Kurten, A., St. Clair, J. M., Seinfeld, J. H., and Wennberg, P. O.: Unexpected epoxide formation in the gas-phase photooxidation of isoprene, Science, 325, 730-733, doi:10.1126/science.1172910, 2009b.
45. Peeters, J. and Nguyen, T. L.: Unusually fast 1,6-H shifts of enolic hydrogens in peroxy radicals: formation of the first-generation C2 and C3 carbonyls in the oxidation of isoprene, J. Phys. Chem. A, 116, 6134-6141, doi:10.1021/jp211447q, 2012.
46. Rothman, L. S., Jacquemart, D., Barbe, A., Benner, D. C., Birk, M., Brown, L. R., Carleer, M. R., Chackerian, C., Chance, K., Coudert, L. H., Dana, V., Devi, V. M., Flaud, J. M., Gamache, R. R., Goldman, A., Hartmann, J. M., Jucks, K. W., Maki, A. G., Mandin, J. Y., Massie, S. T., Orphal, J., Perrin, A., Rinsland, C. P., Smith, M. A. H., Tennyson, J., Tolchenov, R. N., Toth, R. A., Vander Auwera, J., Varanasi, P., and Wagner, G.: The HITRAN 2004 molecular spectroscopic database, J. Quant. Spectrosc. Radiat. Transf., 96, 139-204, 2005. (Pubitemid 41056933)
47. Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., and Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15 JPL Publication 06-2, NASA Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, 2006.
48. Saunders S. M., Jenkin M. E., Derwent, R. G., and Pilling, M. J.: Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part A): Tropospheric degradation of nonaromatic volatile organic compounds, Atmos. Chem. Phys. 3 161-180, doi:10.5194/acp-3-161-2003. 2003.
49. Schade, G. W., Goldstein, A. H., Gray, D. W., and Lerdau, M. T.: Canopy and leaf level 2-methyl-3-buten-2-ol fluxes from a ponderosa pine plantation, Atmos. Environ., 34, 3535-3544, 2000. (Pubitemid 30330747)
50. Schade, G. W., and Goldstein, A. H.: Fluxes of oxygenated volatile organic compounds from a ponderosa pine plantation, J. Geophys. Res.-Atmos., 106, 3111-3123, 2001.
51. Spaulding, R. S., Schade, G. W., Goldstein, A. H., and Charles, M. J.: Characterization of secondary atmospheric photooxidation products: Evidence for biogenic and anthropogenic sources, J. Geophys. Res.-Atmos., 108, 4247, doi:10.1029/2002JD002478, 2003.
52. Spencer, K. M., McCabe, D. C., Crounse, J. D., Olson, J. R., Crawford, J. H., Weinheimer, A. J., Knapp, D. J., Montzka, D. D., Cantrell, C. A., Hornbrook, R. S., Mauldin, R. L., andWennberg, P. O.: Inferring ozone production in an urban atmosphere using measurements of peroxynitric acid, Atmos. Chem. Phys., 9, 3697-3707, doi:10.5194/acp-9-3697-2009, 2009.
53. St. Clair, J. M., McCabe, D. C., Crounse, J. D., Steiner, U., and Wennberg, P. O.: Chemical ionization tandem mass spectrometer for the in situ measurement of methyl hydrogen peroxide, Rev. Sci. Inst., 81, 094102, doi:10.1063/1.3480552, 2010.
54. Tuazon, E. C., and Atkinson, R.: A product study of the gas-phase reaction of methyl vinyl ketone with the OH radical in the presence of NOx, Int. J. Chem. Kin., 21, 1141-1152, 1989.
55. Tuazon, E. C., and Atkinson, R.: A product study of the gas-phase reaction of isoprene with the OH radical in the presence of NOx, Int. J. Chem. Kin., 22, 1221-1236, 1990a.
56. Tuazon, E. C., and Atkinson, R.: A product study of the gas-phase reaction of methacrolein with the OH radical in the presence of NOx, Int. J. Chem. Kin., 22, 591-602, 1990b. (Pubitemid 20697069)
57. Washenfelder, R. A., Roehl, C. M., McKinney, K. A., Julian, R. R., and Wennberg, P. O.: A compact, lightweight gas standards generator for permeation tubes, Rev. Sci. Inst., 74, 3151-3154, doi:10.1063/1.1570949, 2003.
58. Yokelson, R. J., Burling, I. R., Gilman, J. B., Warneke, C., Stockwell, C. E., de Gouw, J. , Akagi, S. K., Urbanski, S. P., Veres, P., Roberts, J. M., Kuster, W. C., Reardon, J., Griffith, D. W. T., Johnson, T. J., Hosseini, S., Miller, J.W., Cocker III, D. R., Jung, H., and Weise, D. R.: Coupling field and laboratory measurements to estimate the emission factors of identified and unidentified trace gases for prescribed fires, Atmos. Chem. Phys., 13, 89-116, doi:10.5194/acp-13-89-2013, 2013.
59. York, D., Evensen, N. M., Martinez, M. L., and Delgado, J. D.: Unified equations for the slope, intercept, and standard errors of the best straight line, Am. J. Phys., 72, 367-375, doi:10.1119/1.1632486, 2004. (Pubitemid 38361385)
60. Zhou, X. L., Huang, G., Civerolo, K., and Schwab, J.: Measurement of atmospheric hydroxyacetone, glycolaldehyde, and formaldehyde, Environ. Sci. Technol., 43, 2753-2759, doi:10.1021/ES803025G, 2009.