Farncombe, Martin (1983) Mixture analysis by metastable mapping. PhD thesis, University of Warwick.

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Abstract

This thesis describes a technique of practical use for the analysis of mixtures and the determination of organic ion structures which relies on the study of metastable and collision-induced decompositions which occur in the first field-free region of a forward-geometry double-focussing mass spectrometer. The technique, which is known as metastable mapping, works by scanning the magnetic field of the mass spectrometer in the usual way and decreasing the electric sector field slightly at the end of each magnetic field scan. The data are collected by a standard commercial data system and may be processed to produce simulated linked scans or a 'map' of parent ion mass against daughter ion mass. A theoretical explanation of the shapes of the peaks is given and the resolution, sensitivity, and susceptibility of the technique to artifact peaks are discussed. The metastable maps of a number of compounds and mixtures are presented to illustrate the use of the technique for mixture analysis and the differentiation of isomeric ions. A study of some ions scattered off the optical axis of the mass spectrometer is also discussed. A computer program, based on the statistical method of factor analysis, which can be used to deconvolute the mass or carbon—13 NMR spectra of mixtures has also been developed. A description of the program, which has been implemented on a small laboratory microcomputer is given and some results are presented which show the practicability of the technique.

Item Type:	Thesis (PhD)
Subjects:	Q Science > QD Chemistry
Library of Congress Subject Headings (LCSH):	Chemical ionization mass spectrometry, Organic compounds -- Analysis, Mass spectrometry, Chemistry, Organic, Chemistry -- Statistical methods
Official Date:	September 1983
Dates:	Date Event September 1983 Submitted
Institution:	University of Warwick
Theses Department:	Department of Chemistry
Thesis Type:	PhD
Publication Status:	Unpublished
Supervisor(s)/Advisor:	Jennings, Keith R.,1932- ; Scrivens, James H.
Sponsors:	Science and Engineering Research Council (Great Britain), Imperial Chemical Industries, ltd, University of Warwick.Department of Chemistry
Extent:	xvi, 172 leaves : illustrations
Language:	eng

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