Please use this identifier to cite or link to this item: http://hdl.handle.net/2381/40294
Title: Exploration of the utility of CF<inf>3</inf><sup>+</sup> as a reagent for chemical ionisation reaction mass spectrometry
Authors: Blake, Robert S.
Ouheda, Saleh A.
Alwedi, Embarek F.
Monks, Paul S.
First Published: 21-Jul-2017
Publisher: Elsevier
Citation: International Journal of Mass Spectrometry, 2017
Abstract: The utility of CF 3 + as a chemical-ionisation reagent for the identification of volatile organic compounds (VOCs) is explored. CF 3 + and CF 2 H + , produced from the discharge of CF 4 , have been used as chemical ionization (CI) precursor ions with a representative functional mixture of VOCs in Chemical Ionisation Reaction Mass Spectrometry (CIR-MS), a multi-reagent analogue of PTR-MS.Reacting CF 3 + with a functionally varied range of VOCs, under 100Td and 120Td accelerating electric fields (E/N), produced markedly different fragmentation patterns. Whereas hydride ion transfer was found to be the main reaction mechanism with n-alkanes. CF 3 + acts as a Lewis acid, a strong electrophile with aromatics and nitriles. In VOCs with carbonyl groups, CF 3 + forms an intermediate complex leading to the substitution of oxygen by fluorine. Target VOCs with longer alkyl chains in general show greater fragmentation, starting at C 5 and becoming progressively more significant by C 7 .A brief comparison is made with the comparable H 3 O + reactivity. From the comparison between CF 3 + and H 3 O + , it is clear that CF 3 + is a "more aggressive" reagent ion but offers utility in terms of distinctive mass shifts with certain functional groups.
DOI Link: 10.1016/j.ijms.2017.07.012
ISSN: 1387-3806
Links: http://www.sciencedirect.com/science/article/pii/S1387380617301756?via%3Dihub
http://hdl.handle.net/2381/40294
Embargo on file until: 21-Jul-2018
Version: Post-print
Status: Peer-reviewed
Type: Journal Article
Rights: Copyright © 2017, Elsevier. Deposited with reference to the publisher’s open access archiving policy.
Description: Supplementary data associated with this article can be found, in the online version, at http://dx.doi.org/10.1016/j.ijms.2017.07.012.
The file associated with this record is under embargo until 12 months after publication, in accordance with the publisher's self-archiving policy. The full text may be available through the publisher links provided above.
Appears in Collections:Published Articles, College of Science and Engineering

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