H<inf>3</inf>O⁺, NO⁺ and O<inf>2</inf>⁺^. reactions with saturated and unsaturated monoketones and diones, focus on hydration of product ions

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F19%3A00497665" target="_blank" >RIV/61388955:_____/19:00497665 - isvavai.cz</a>

Result on the web

<a href="http://hdl.handle.net/11104/0290191" target="_blank" >http://hdl.handle.net/11104/0290191</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ijms.2018.10.027" target="_blank" >10.1016/j.ijms.2018.10.027</a>

Result language

angličtina

Original language name

H<inf>3</inf>O⁺, NO⁺ and O<inf>2</inf>⁺^. reactions with saturated and unsaturated monoketones and diones, focus on hydration of product ions

Original language description

A selected ion flow tube, SIFT, study has been carried out for the reactions of the SIFT-MS reagent ions H3O+, NO+ and O2+[rad] with 21 ketones, M, comprising 13 saturated monoketones of which 10 are linear and 3 are branched, 5 unsaturated monoketones and 3 diones. The collisional rate coefficients, kc, were calculated for the H3O+ reactions that all proceed via rapid proton transfer and the relative rate coefficients for the NO+ and O2+[rad] reactions were obtained experimentally. The product ion distributions for all 63 reactions were obtained at two sample gas absolute humidity (0.5% and 5.5%), the higher humidity intended to simulate that of exhaled breath. A major objective was to understand how the product ions of the reactions formed hydrates, which is important for accurate quantification of metabolites in humid air samples by SIFT-MS and by secondary electrospray ionisation, SESI. The MH+ product ions of the H3O+ reactions readily hydrate at the higher humidity, the monohydrate being dominant for both the saturated and unsaturated ketones, whereas the dihydrate was dominant for the dione reactions. In the NO+ reactions, formation of the NO+M adduct ions was dominant for the saturated and unsaturated ketones, but charge transfer producing the M+[rad] parent cation was very dominant in the dione reactions. The O2+[rad] reactions all proceeded via dissociative charge transfer producing the parent cation M+[rad] and closed shell and open shell cation fragments. Except for the dione parent cations, the M+[rad] ions hydrated, as did the open shell fragment ions of the O2+[rad] reactions, but the closed shell fragment ions did not hydrate.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/GA18-12902S" target="_blank" >GA18-12902S: Secondary electrospray ionization mass spectrometry (SESI-MS) for quantification of gaseous analytes in air, headspace and breath</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2019

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

International Journal of Mass Spectrometry

ISSN

1387-3806

e-ISSN

—

Volume of the periodical

435

Issue of the periodical within the volume

JAN 2019

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

8

Pages from-to

173-180

UT code for WoS article

000453773300023

EID of the result in the Scopus database

2-s2.0-85056246467