Mochalski, P and Unterkofler, K and Španěl, P and Smith, D and Amann, A (2014) Product ion distributions for the reactions of NO(+) with some physiologically significant aldehydes obtained using a SRI-TOF-MS instrument. International Journal of Mass Spectrometry, 363. 23 - 31. ISSN 1387-3806

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D Smith - Product ion distributions for the reactions of NO+ with some physiologically significant aldehydes obtained using a SRI-TOF-MS instrument.pdf
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Abstract

Product ion distributions for the reactions of NO(+) with 22 aldehydes involved in human physiology have been determined under the prevailing conditions of a selective reagent ionization time of flight mass spectrometry (SRI-TOF-MS) at an E/N in the flow/drift tube reactor of 130 Td. The chosen aldehydes were fourteen alkanals (the C2-C11 n-alkanals, 2-methyl propanal, 2-methyl butanal, 3-methyl butanal, and 2-ethyl hexanal), six alkenals (2-propenal, 2-methyl 2-propenal, 2-butenal, 3-methyl 2-butenal, 2-methyl 2-butenal, and 2-undecenal), benzaldehyde, and furfural. The product ion fragmentations patterns were determined for both dry air and humid air (3.5% absolute humidity) used as the matrix buffer/carrier gas in the drift tube of the SRI-TOF-MS instrument. Hydride ion transfer was seen to be a common ionization mechanism in all these aldehydes, thus generating (M-H)(+) ions. Small fractions of the adduct ion, NO(+)M, were also seen for some of the unsaturated alkenals, in particular 2-undecenal, and heterocyclic furfural for which the major reactive channel was non-dissociative charge transfer generating the M(+) parent ion. Almost all of the reactions resulted in partial fragmentation of the aldehyde molecules generating hydrocarbon ions; specifically, the alkanal reactions resulted in multiple product ions, whereas, the alkenals reactions produced only two or three product ions, dissociation of the nascent excited product ion occurring preferentially at the 2-position. The findings of this study are of particular importance for data interpretation in studies of aldehydes reactions employing SRI-TOF-MS in the NO(+) mode.

Item Type: Article
Uncontrolled Keywords: aldehydes; SRI-TOF-MS; NO+ reactions; fragmentation patterns; VOCs; PTR-MS
Subjects: Q Science > QH Natural history
Divisions: Faculty of Medicine and Health Sciences > Institute for Science and Technology in Medicine
Related URLs:
Depositing User: Symplectic
Date Deposited: 22 Jun 2015 15:12
Last Modified: 23 May 2016 13:18
URI: http://eprints.keele.ac.uk/id/eprint/598

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