Ternary association reactions of H3O+, NO+ and O-2(+center dot) with N-2, O-2, CO2 and H2O. Implications for selected ion flow tube mass spectrometry analyses of air and breath
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F22%3A00555203" target="_blank" >RIV/61388955:_____/22:00555203 - isvavai.cz</a>
Výsledek na webu
<a href="http://hdl.handle.net/11104/0329721" target="_blank" >http://hdl.handle.net/11104/0329721</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/rcm.9241" target="_blank" >10.1002/rcm.9241</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Ternary association reactions of H3O+, NO+ and O-2(+center dot) with N-2, O-2, CO2 and H2O. Implications for selected ion flow tube mass spectrometry analyses of air and breath
Popis výsledku v původním jazyce
Rationale The reactions of the reagent ions used for trace gas analysis in selected ion flow tube mass spectrometry (SIFT-MS), R+, viz. H3O+, NO+ and O-2(+), with the major gases in air and breath samples, M, viz. N-2, O-2, CO2 and H2O, are investigated. These reactions are seen to form weakly-bound adduct ions, R+M, by ternary association reactions that must not be mistaken for genuine volatile organic compound (VOC) analyte ions. Methods The ternary association rate coefficients mediated by helium (He) carrier gas atoms, k(3a), have been determined for all combinations of R+ and M, which form R+M adduct ions ranging in m/z from 47 (H3O+N2) to 76 (O2+center dot CO2). This was achieved by adding variable amounts of M (up to 0.5 mbar pressure) into the He carrier gas (pressure of 1.33 mbar) in a SIFT-MS flow tube at 300 K. Parabolic curvature was observed on some of the semi-logarithmic decay curves that allowed the rate coefficients mediated by M molecules, k(3b), to be estimated. Results Values of k(3a) were found to range from 1 x 10(-31) cm(6) s(-1) to 5 x 10(-29) cm(6) s(-1), which form mass spectral R+M ´ghost peaks´ of significant strength when analysing VOCs at parts-per-billion concentrations. It was seen that the R+M adduct ions (except when M is H2O) react with H2O molecules by ligand switching forming the readily recognised monohydrates of the initial reagent cations R+H2O. Whilst this ligand switching diminishes the R+M adduct ghost peaks, it does not eliminate them entirely. Conclusions The significance of these adduct ions for trace gas analysis by SIFT-MS in the low m/z region is alluded to, and some examples are given of m/z spectral overlaps of the R+M and R+H2O adduct cations with analyte cations of VOCs formed by analysis of complex media like exhaled breath, warning that ghost peaks will be enhanced using nitrogen carrier gas in SIFT-MS.
Název v anglickém jazyce
Ternary association reactions of H3O+, NO+ and O-2(+center dot) with N-2, O-2, CO2 and H2O. Implications for selected ion flow tube mass spectrometry analyses of air and breath
Popis výsledku anglicky
Rationale The reactions of the reagent ions used for trace gas analysis in selected ion flow tube mass spectrometry (SIFT-MS), R+, viz. H3O+, NO+ and O-2(+), with the major gases in air and breath samples, M, viz. N-2, O-2, CO2 and H2O, are investigated. These reactions are seen to form weakly-bound adduct ions, R+M, by ternary association reactions that must not be mistaken for genuine volatile organic compound (VOC) analyte ions. Methods The ternary association rate coefficients mediated by helium (He) carrier gas atoms, k(3a), have been determined for all combinations of R+ and M, which form R+M adduct ions ranging in m/z from 47 (H3O+N2) to 76 (O2+center dot CO2). This was achieved by adding variable amounts of M (up to 0.5 mbar pressure) into the He carrier gas (pressure of 1.33 mbar) in a SIFT-MS flow tube at 300 K. Parabolic curvature was observed on some of the semi-logarithmic decay curves that allowed the rate coefficients mediated by M molecules, k(3b), to be estimated. Results Values of k(3a) were found to range from 1 x 10(-31) cm(6) s(-1) to 5 x 10(-29) cm(6) s(-1), which form mass spectral R+M ´ghost peaks´ of significant strength when analysing VOCs at parts-per-billion concentrations. It was seen that the R+M adduct ions (except when M is H2O) react with H2O molecules by ligand switching forming the readily recognised monohydrates of the initial reagent cations R+H2O. Whilst this ligand switching diminishes the R+M adduct ghost peaks, it does not eliminate them entirely. Conclusions The significance of these adduct ions for trace gas analysis by SIFT-MS in the low m/z region is alluded to, and some examples are given of m/z spectral overlaps of the R+M and R+H2O adduct cations with analyte cations of VOCs formed by analysis of complex media like exhaled breath, warning that ghost peaks will be enhanced using nitrogen carrier gas in SIFT-MS.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
<a href="/cs/project/GA21-25486S" target="_blank" >GA21-25486S: Hmotnostní spektrometrie v proudové a driftové trubici s vybranými ionty s negativními ionty a dusíkem jako nosným plynem</a><br>
Návaznosti
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2022
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Rapid Communications in Mass Spectrometry
ISSN
0951-4198
e-ISSN
1097-0231
Svazek periodika
36
Číslo periodika v rámci svazku
6
Stát vydavatele periodika
GB - Spojené království Velké Británie a Severního Irska
Počet stran výsledku
8
Strana od-do
e9241
Kód UT WoS článku
000759752500007
EID výsledku v databázi Scopus
2-s2.0-85125152187