Some Studies on Mass Spectrometry

Jardine, Ian (1973) Some Studies on Mass Spectrometry. PhD thesis, University of Glasgow.

Abstract

Chapter One is a short historical introduction to the subject of Mass Spectrometry, Current research in this field is briefly reviewed to place the work of this thesis in perspective. Chapter Two is the main body of the work and is entitled "An Application of Pattern Recognition to Mass Spectral Data," The particular problemn being considered, the detection and identification of highly toxic atmospheric pollutants, is discussed and the applicability of pattern recognition techniques is explored. The general ideas and methods of pattern recognition are mentioned. The particular unsupervised method of pattern recognition, "Cluster Analysis", is described in greater detail and an outline of the mathematics involved in employing the method is given. Four separate studies on cluster analysis of mass spectral data are described and discussed. The first study is on ninety compounds of various types containing only carbon, hydrogen and sulphur. They are taken from the classes non-cyclic thioethers, cyclic thioethers, thiophenes and thiols. The second study is on sixty compounds which are recognised as organic atmospheric pollutants. The third study is on twenty-two different pyrazines. The forth study is on the compounds found as volatile metabolites in normal subjects (forty-two compounds) and subjects with diabetes mellitus (sixty compounds). These studies show that the pattern recognition approach to the analysis of large quantities of mass spectral data is of considerable potential, especially for data reduction and compound identification. Chapter Three contains the mass spectra of thirty-five various benzo-2,1,3-thiadiazoles, many of which have been shown to have considerable herbicidal and fungicidal activity. The mass spectra of all the compounds are discussed.

• Item Type: Thesis (PhD)
• Qualification Level: Doctoral
• Keywords: Analytical chemistry
• Date of Award: 1973
• Depositing User: Enlighten Team
• Unique ID: glathesis:1973-78643
• Copyright: Copyright of this thesis is held by the author.
• Date Deposited: 28 Feb 2020 12:09
• Last Modified: 28 Feb 2020 12:09
• URI: https://theses.gla.ac.uk/id/eprint/78643