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Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry. / Jonathan Paul Williams

Swansea University Author: Jonathan Paul Williams

Abstract

Mass spectrometry is a powerful analytical technique that possesses the capability of molecular characterisation of complex mixtures. The technique has been the method afforded in this study for the characterisation of such mixtures of industrial relevance. The last decade has seen an important revi...

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Published: 2000
Institution: Swansea University
Degree level: Doctoral
Degree name: Ph.D
URI: https://cronfa.swan.ac.uk/Record/cronfa42653
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spelling 2018-08-02T16:24:29.9929983 v2 42653 2018-08-02 Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry. 2e70a9ed1df9e92e401abe8ffe86ac20 NULL Jonathan Paul Williams Jonathan Paul Williams true true 2018-08-02 Mass spectrometry is a powerful analytical technique that possesses the capability of molecular characterisation of complex mixtures. The technique has been the method afforded in this study for the characterisation of such mixtures of industrial relevance. The last decade has seen an important revival of one area in particular, time-of-flight mass spectrometry, which has had a significant impact on the field of mass spectrometry. This has been largely due to two recently developed ionisation methods, namely electrospray and matrix-assisted laser desorption ionisation. These ionisation methods have led to the development of novel time-of-flight mass spectrometer designs by commercial manufacture's, which take advantage of the theoretically unlimited mass range and the acquisition of a full mass spectrum every injection pulse of ions. Matrix-assisted laser desorption and electrospray ionisation have been interfaced to two novel time-of-flight mass analysers, the 'Autospec' oa- ToF, a hybrid sector orthogonal-acceleration time-of-flight instrument and the 'LCT', a liquid chromatograph time-of-flight instrument, manufactured by Micromass U.K., Ltd respectively. They have been successfully used to investigate and fully characterise complex systems of industrial significance. The 'Autospec' oa-ToF was used for high-energy collision induced dissociation experiments. The high sensitivity of the time-of-flight analyser was very powerful in the detection of product ions produced from various synthetic polymer precursor ions. The detailed structural information produced will be shown to fully characterise the polystyrene samples studied. An expanding area of mass spectrometry is electrospray ionisation used with orthogonal acceleration time-of-flight. The two methods when used in reflectron mode have significantly removed early limitations on resolution that time-of-flight mass analysers initially possessed. Sampling the electrosprayed ions orthogonally results in an increased duty cycle, which can be advantageous if fast chromatography is required. Evaluation of the LCT instrument, will be shown to provide mass resolution of the order of 5000 at full-width half maximum, mass accuracies of the order of 5ppm, full scan sensitivity equal to that of a quadrupole instrument in single ion monitoring mode and the detection of singly charged ions greater than m/z 10000. The research unit at Swansea University allowed the opportunity to investigate ion structural problems on an instrument built in house of BEE geometry. The energy released upon metastable fragmentation, leading to the formation of C3H3+ ions formed in some simple organic molecules yield peak shapes of a composite nature. The selection of ions from the translational energy-release distribution produced, have been investigated by consecutive reactions and will be shown to fully characterise isomeric ion structures. E-Thesis Analytical chemistry. 31 12 2000 2000-12-31 COLLEGE NANME Chemistry COLLEGE CODE Swansea University Doctoral Ph.D 2018-08-02T16:24:29.9929983 2018-08-02T16:24:29.9929983 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemistry Jonathan Paul Williams NULL 1 0042653-02082018162511.pdf 10805429.pdf 2018-08-02T16:25:11.3800000 Output 4635691 application/pdf E-Thesis true 2018-08-02T16:25:11.3800000 false
title Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry.
spellingShingle Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry.
Jonathan Paul Williams
title_short Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry.
title_full Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry.
title_fullStr Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry.
title_full_unstemmed Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry.
title_sort Ion structure determination using novel time-of-flight techniques and mass-analysed ion kinetic energy spectrometry.
author_id_str_mv 2e70a9ed1df9e92e401abe8ffe86ac20
author_id_fullname_str_mv 2e70a9ed1df9e92e401abe8ffe86ac20_***_Jonathan Paul Williams
author Jonathan Paul Williams
author2 Jonathan Paul Williams
format E-Thesis
publishDate 2000
institution Swansea University
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemistry{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemistry
document_store_str 1
active_str 0
description Mass spectrometry is a powerful analytical technique that possesses the capability of molecular characterisation of complex mixtures. The technique has been the method afforded in this study for the characterisation of such mixtures of industrial relevance. The last decade has seen an important revival of one area in particular, time-of-flight mass spectrometry, which has had a significant impact on the field of mass spectrometry. This has been largely due to two recently developed ionisation methods, namely electrospray and matrix-assisted laser desorption ionisation. These ionisation methods have led to the development of novel time-of-flight mass spectrometer designs by commercial manufacture's, which take advantage of the theoretically unlimited mass range and the acquisition of a full mass spectrum every injection pulse of ions. Matrix-assisted laser desorption and electrospray ionisation have been interfaced to two novel time-of-flight mass analysers, the 'Autospec' oa- ToF, a hybrid sector orthogonal-acceleration time-of-flight instrument and the 'LCT', a liquid chromatograph time-of-flight instrument, manufactured by Micromass U.K., Ltd respectively. They have been successfully used to investigate and fully characterise complex systems of industrial significance. The 'Autospec' oa-ToF was used for high-energy collision induced dissociation experiments. The high sensitivity of the time-of-flight analyser was very powerful in the detection of product ions produced from various synthetic polymer precursor ions. The detailed structural information produced will be shown to fully characterise the polystyrene samples studied. An expanding area of mass spectrometry is electrospray ionisation used with orthogonal acceleration time-of-flight. The two methods when used in reflectron mode have significantly removed early limitations on resolution that time-of-flight mass analysers initially possessed. Sampling the electrosprayed ions orthogonally results in an increased duty cycle, which can be advantageous if fast chromatography is required. Evaluation of the LCT instrument, will be shown to provide mass resolution of the order of 5000 at full-width half maximum, mass accuracies of the order of 5ppm, full scan sensitivity equal to that of a quadrupole instrument in single ion monitoring mode and the detection of singly charged ions greater than m/z 10000. The research unit at Swansea University allowed the opportunity to investigate ion structural problems on an instrument built in house of BEE geometry. The energy released upon metastable fragmentation, leading to the formation of C3H3+ ions formed in some simple organic molecules yield peak shapes of a composite nature. The selection of ions from the translational energy-release distribution produced, have been investigated by consecutive reactions and will be shown to fully characterise isomeric ion structures.
published_date 2000-12-31T03:53:23Z
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score 11.014067

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