Development of Mass Spectrometric Methods for the Chemical Characterization of Condensate Oils, the Detection of Reaction Intermediates in Solution and for the Fast Identification of Drug Metabolites
Abstract
Tandem Mass Spectrometry Is A Powerful Technique For The Chemical Characterization Of Complex Mixtures Containing Unknown Compounds. Mass Spectrometry Cannot Be Used To Directly Determine Chemical Structures Of Charged Compounds. However, The Determination Of The Accurate Mass-to-charge Value Of Ions Facilitates The Identification Of Their Elemental Compositions. Further, Mass Spectrometry Experiments Wherein The Ions Are Subjected To Reactions Can Be Used To Elucidate The Structures Of Ionized Compounds. Finally, Due To The High Sensitivity And The Large Dynamic Range Of Many Mass Spectrometers, They Can Be Used To Detect Compounds Present At Trace Levels In Mixtures. These Advantages, Along With The Availability Of Many Different Ionization Methods And Mass Analyzers With Dissimilar Capabilities, Have Made Tandem Mass Spectrometry A Cuttingedge Analytical Technique For The Analysis Of Complex Mixtures In Many Fields. This Dissertation Presents Several Examples Of Diverse Applications Of Mass Spectrometry. For Example, High-resolution Mass Spectrometry Was Utilized For Qualitative And Quantitative Chemical Characterization Of Ionized Compounds In Petrochemical Samples, Specifically, In Condensate-like Oil Samples. Further, The Ability To Use Tandem Mass Spectrometry To Rapidly Detect Trace Amounts Of Short-lived Reaction Intermediates In Solution Reactions Is Demonstrated. Finally, Selective Tandem Mass Spectrometry Methods Based On Diagnostic Gas-phase Ion-molecule Reactions Were Developed For The Identification Of Carboxylic Acid Functionalities In Protonated Analytes. Chapter 2 Describes The Instruments And The Atmospheric Pressure Chemical Ionization Method Used To Perform The Research Discussed In This Dissertation. In Chapter 3, The Success In The Chemical Characterization Of Condensate-like Oil Samples With Different Api Gravities By Using The Distillation, Precipitation, Fractionation Mass Spectrometry (Dpf Ms) Method Is Discussed. Further, The Determination Of The Average Total Number Of Carbon Atoms In The Alkyl Side Chains Of The Alkyl Aromatic Compounds In The Condensate-like Oil Samples By Using In-source Collisionactivated Dissociation (Iscad) In A Linear Quadrupole Ion Trap Mass Spectrometer Is Described. Chapter 4 Describes The Development Of An Online Mass Spectrometry-based Method For The Detection And Identification Of Reaction Intermediates Generated During Uv/H2o2Induced Oxidation Of 2-methylbenzisothiazolin-3-one. Chapter 5 Discusses The Development Of Tandem Mass Spectrometry Experiments Based On Diagnostic Gas-phase Ion-molecule Reactions For The Identification Of Carboxylic Acid Functionalities In Protonated Analytes.
Degree
Ph.D.
Advisors
Kenttämaa, Purdue University.
Subject Area
Energy|Analytical chemistry|Atmospheric sciences|Atomic physics|Chemistry|Optics|Physics
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