Selected ion flow tube study of the reactions of H3O+ and NO+ with a series of primary alcohols in the presence of water vapour in support of selected ion flow tube mass spectrometry

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F17%3A00484029" target="_blank" >RIV/61388955:_____/17:00484029 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1002/rcm.7811" target="_blank" >http://dx.doi.org/10.1002/rcm.7811</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/rcm.7811" target="_blank" >10.1002/rcm.7811</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Selected ion flow tube study of the reactions of H3O+ and NO+ with a series of primary alcohols in the presence of water vapour in support of selected ion flow tube mass spectrometry

Popis výsledku v původním jazyce

RATIONALE: Alcohols are often present in foods and other biological media, including exhaled breath, urine and cell culture headspace. For their analysis by selected ion flow tube mass spectrometry (SIFT-MS), the ion chemistry initiated by the reactions of the reagent ions H3O+ and NO+ with alcohol molecules in the presence of water molecules needs to be understood and quantitatively described.nMETHODS: The reactions of H3O+ and NO+ ions have been studied with the primary alcohols, methanol, ethanol,n1-propanol, 1-butanol, 1-pentanol and 1-hexanol, under the conditions used for SIFT-MS analyses (1 Torr Hen 0.1 Torrnair sample, 300 K) and over a range of sample gas humidity from 1% to 5.5%.nRESULTS: The H3O+ reactions led to the formation of protonated alcohol molecules MH+ and their hydratesnMH+(H2O)1,2,3 and (MH+-H2O) fragment ions. The NO+ reactions were observed to proceed mainly via hydride ionntransfer, resulting in the formation of [M–H]+ product ions. Formation of the NO+M adduct ions was also observedndue to ligand switching between the NO+(H2O)1,2 hydrated reagent ions and M, and via direct NO+/M association innthe case of ethanol. The variation in the percentages of the hydrated product ions with the air sample humidity is reported.nCONCLUSIONS: This detailed study has provided the kinetics data, including the secondary hydrated ion productndistributions, for the reactions of a number of volatile primary alcohols with the SIFT-MS reagent ions H3O+ and NO+,nwhich allows their analyses by SIFT-MS in humid air and also helps in the interpretation of proton transfer reactionn(PTR)-MS data.

Název v anglickém jazyce

Selected ion flow tube study of the reactions of H3O+ and NO+ with a series of primary alcohols in the presence of water vapour in support of selected ion flow tube mass spectrometry

Popis výsledku anglicky

RATIONALE: Alcohols are often present in foods and other biological media, including exhaled breath, urine and cell culture headspace. For their analysis by selected ion flow tube mass spectrometry (SIFT-MS), the ion chemistry initiated by the reactions of the reagent ions H3O+ and NO+ with alcohol molecules in the presence of water molecules needs to be understood and quantitatively described.nMETHODS: The reactions of H3O+ and NO+ ions have been studied with the primary alcohols, methanol, ethanol,n1-propanol, 1-butanol, 1-pentanol and 1-hexanol, under the conditions used for SIFT-MS analyses (1 Torr Hen 0.1 Torrnair sample, 300 K) and over a range of sample gas humidity from 1% to 5.5%.nRESULTS: The H3O+ reactions led to the formation of protonated alcohol molecules MH+ and their hydratesnMH+(H2O)1,2,3 and (MH+-H2O) fragment ions. The NO+ reactions were observed to proceed mainly via hydride ionntransfer, resulting in the formation of [M–H]+ product ions. Formation of the NO+M adduct ions was also observedndue to ligand switching between the NO+(H2O)1,2 hydrated reagent ions and M, and via direct NO+/M association innthe case of ethanol. The variation in the percentages of the hydrated product ions with the air sample humidity is reported.nCONCLUSIONS: This detailed study has provided the kinetics data, including the secondary hydrated ion productndistributions, for the reactions of a number of volatile primary alcohols with the SIFT-MS reagent ions H3O+ and NO+,nwhich allows their analyses by SIFT-MS in humid air and also helps in the interpretation of proton transfer reactionn(PTR)-MS data.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Rapid Communications in Mass Spectrometry

ISSN

0951-4198

e-ISSN

—

Svazek periodika

31

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

437-446

Kód UT WoS článku

000394512600005

EID výsledku v databázi Scopus

2-s2.0-85011653954