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Identifying and Distinguishing Isomers Using Mass Spectrometry and Ion Mobility

Cool, Lydia R.
http://rave.ohiolink.edu/etdc/view?acc_num=akron1460470683

Abstract Details

2016, Doctor of Philosophy, University of Akron, Chemistry.
This dissertation focuses on the application of mass spectrometry (MS), tandem mass spectrometry (MS/MS), and ion mobility mass spectrometry (IM-MS) analysis of isomers. Chapter I gives an overview of the scope of the dissertation. Chapter II introduces mass spectrometry, including mass analyzers and ionization techniques. Chapter III discusses the instrumentation and materials used in this dissertation. Chapter IV discusses the analysis of five copolyesters. The first section of the chapter discusses two structural isomers synthesized using cyclohexane dicarboxylic acid (CHDA) and either 1,5-pentanediol (1,5-PED) or neopentyl glycol (NPG), viz. CHDA.NPG and CHDA.1,5-PED. Polyesters follow the 1,5-hydrogen rearrangement in MS/MS experiments, but CHDA.NPG cannot dissociate via this mechanism. A distinct, charge-induced fragmentation mechanism is proposed to operate in this case based on MS/MS fragmentation energetics and IM-MS results. The latter data serve a dual purpose as they can additionally be used to distinguish the two isomers. The second section of Chapter IV compares and contrasts the five isomers, which include oligomers made of adipic acid (AA) and ethylene glycol (1,2-EG). The hydrolysis behavior of the polyesters, which were synthesized by Mark D. Soucek et al. (University of Akron) are also discussed. Chapter V reports the analysis of a fluorinated polymer. Sample preparation difficulties necessitated the use of a supercharging agent in order to analyze the sample using ESI. Two different distributions were seen in the mass spectrum: linear and cyclic. Despite multiple theoretical structures being possible, only one structure was confirmed present for either the linear or cyclic distributions. The cyclic structure was determined to be a complete circle (macrocycle), whereas the linear structure was found to be completely linear with no branching. Chapter VI discusses multiple sets of monosaccharide-based isomers. Three different monosaccharides are included: a-D-mannopyranose, ß-D-mannopyranose, and ß-D-glucopyranose. Seven different substituents were made onto the monosaccharides. Tandem mass spectrometry cannot distinguish the isomers, but ion mobility mass spectrometry does. The IM-MS characteristics of the isomers followed a trend, independent of the substituent on the monosaccharides. Chapter VII summarizes the conclusions of the dissertation. This is followed by the references. Finally are the appendices, which include copyright permissions.
Chrys Wesdemiotis (Advisor)
Sailaja Paruchuri (Committee Member)
David Perry (Committee Member)
Coleen Pugh (Committee Member)
Claire Tessier (Committee Member)
154 p.
Analytical Chemistry; Chemistry

Recommended Citations

Citations

  • Cool, L. R. (2016). Identifying and Distinguishing Isomers Using Mass Spectrometry and Ion Mobility [Doctoral dissertation, University of Akron]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=akron1460470683

    APA Style (7th edition)

  • Cool, Lydia. Identifying and Distinguishing Isomers Using Mass Spectrometry and Ion Mobility. 2016. University of Akron, Doctoral dissertation. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=akron1460470683.

    MLA Style (8th edition)

  • Cool, Lydia. "Identifying and Distinguishing Isomers Using Mass Spectrometry and Ion Mobility." Doctoral dissertation, University of Akron, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=akron1460470683

    Chicago Manual of Style (17th edition)

akron1460470683
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© 2016, some rights reserved.Creative Commons License Identifying and Distinguishing Isomers Using Mass Spectrometry and Ion Mobility by Lydia R. Cool is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. Based on a work at etd.ohiolink.edu.
This open access ETD is published by University of Akron and OhioLINK.