Two dimensional correlation spectroscopy, fragmentation pathway, butylbenzene, fire debris analysis and pyrolysis products
In this dissertation research, two fundamental studies involving gas chromatography mass spectrometry of n-butylbenzene and pyrolysis products are presented. In the first study, fragmentation pathways of n-butylbenzene in quadrupole ion trap have been investigated. At low energy, product ion corresponding to m/z 92 and m/z 91 are formed via competitive parallel dissociation. Studies have also shown that at higher energy m/z 92 has sufficient internal energy to undergo further fragmentation yielding m/z 91 via consecutive dissociation. Thus in order to discern the fragmentation pathways of n-butylbenzene, the technique of two-dimensional correlation spectroscopy (2DCOS) was applied to the mass spectral data. Application of 2DCOS resulted in two 2D correlation spectra namely synchronous and asynchronous. A third spectra known as coherence spectra was obtained from the ration of asynchronous to synchronous correlation intensities. For the elucidation of n-butylbenzene fragmentation pathways, all the three spectra were utilized in this study. The second study in this dissertation involves investigation of pyrolysis products to aid in fire debris analysis. One of the major concerns in fire debris analysis is that pyrolysis products can mask the patterns of compounds of interest and make the chromatographic results interpretation extremely difficult. One of the approaches for investigating the formation of pyrolysis products is to subject the commonly found building materials to controlled heating in laboratory. In this study, new heating methodologies for controlled heating of substrates involving furnace, paint-cans and flat steel pans have been developed. The substrates used for investigating pyrolysis products were polystyrene, polyvinylchloride, polybutadiene, yellow-pine, nylon carpet and padding. Experiments were also performed to investigate the influence of hydrocarbons on the formation of pyrolysis.
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Doctor of Philosophy (Ph.D.)
College of Sciences
Length of Campus-only Access
Doctoral Dissertation (Open Access)
Lingam, Balasubramaniam, "Mass Spectral Studies to Investigate Butylbenzene Fragmentation Pathway and Pyrolysis Products." (2015). Electronic Theses and Dissertations. 1278.