title: Applications of CE-ESI-MS/MS analysis to structural elucidation of methylenecyclohexane ozonolysis products in the particle phase.
abstract: The composition of secondary organic aerosol (SOA) from the gas phase ozonolysis of methylenecyclohexane was analyzed in a series of indoor aerosol chamber experiments. Capillary electrophoresis-electrospray ionization-ion trap mass spectrometry (CE/ESI-ITMS) was used for qualitative and quantitative analysis of SOA constituents. A number of dicarboxylic acids in the range of C(5)-C(6), such as adipic acid and glutaric acid, were found as major components of the organic products. Besides these smaller compounds, the formation of higher-molecular-weight compounds were observed under both neutral and acidic conditions. MS/MS experiments were carried out in order to obtain information on the monomer units and the structure of the dimers. MS(2) experiments of the two most prominent dimers with a mass-to-charge ratio (m/z) of 257 and m/z 273 yielded common fragments of m/z 83, 129 or 145. Based on the fragmentation patterns, these dimers are tentatively identified as carboxylate ester acids containing a unit of adipic acid in the structure. The dimer with m/z 257 was nearly 60% of the total detected compounds for both the neutral and acidic seed particle experiments.
authors: Leibniz-Institut für Troposphärenforschung, Leipzig, Germany.
authors: Conny
authors: C
authors: Müller
authors: Yoshiteru
authors: Y
authors: Iinuma
authors: Olaf
authors: O
authors: Böge
authors: Hartmut
authors: H
authors: Herrmann
mesh_terms: D000336:Aerosols / Q000737:chemistry*; D000393:Air Pollutants / Q000737:chemistry*; D002980:Climate; D053138:Cyclohexenes / Q000737:chemistry*; D019075:Electrophoresis, Capillary; D005374:Filtration / Q000295:instrumentation / Q000379:methods; D008956:Models, Chemical; D009930:Organic Chemicals / Q000032:analysis*; D010126:Ozone / Q000737:chemistry; D052638:Particulate Matter / Q000737:chemistry*; D012680:Sensitivity and Specificity; D021241:Spectrometry, Mass, Electrospray Ionization; D053719:Tandem Mass Spectrometry
chemical_list: D000336:Aerosols; D000393:Air Pollutants; D053138:Cyclohexenes; D009930:Organic Chemicals; D052638:Particulate Matter; D010126:Ozone