Ion-shift reagent binding energy and the mass-mobility shift correlation in ion mobility spectrometry.
Journal
Rapid communications in mass spectrometry : RCM
ISSN: 1097-0231
Titre abrégé: Rapid Commun Mass Spectrom
Pays: England
ID NLM: 8802365
Informations de publication
Date de publication:
30 Oct 2022
30 Oct 2022
Historique:
revised:
17
07
2022
received:
04
05
2022
accepted:
18
07
2022
pubmed:
24
7
2022
medline:
14
9
2022
entrez:
23
7
2022
Statut:
ppublish
Résumé
Ion mobility spectrometry (IMS) detects illegal substances and explosives in airports, ports, and customs. This is complicated by false positives caused by overlapping peaks. Shift reagents selectively change ion mobilities through adduction with analyte ions. This discriminates false positives because interferents and illegal substances respond differently to shift reagents. We introduced five different shift reagents using electrospray ionization-IMS-mass spectrometry to study the effect of interaction energy, intermolecular bonds, and analyte size on ion mobility shifts. Analyte ion-shift reagent interactions were calculated using Gaussian. The mobility shifts showed a decreasing trend as the molecular weight increased for a series of ten compounds. The shift in drift time better reflected the pure effect of shift reagents. Valinol was an exception to this trend because it had a low binding energy interaction with all shift reagents and, consequently, its clusters were short-lived. This produced fewer collisions against the buffer gas and a shorter drift time, compared to ions of similar molecular weight. The results of this investigation are important for understanding the behavior of shift reagents in resolving overlapping peaks that cause interferences. The suppression of false positives eases the transit of passengers and cargos, increases the confiscation of illicit substances, and saves money and distress due to needless delays in customs and airports.
Substances chimiques
Indicators and Reagents
0
Ions
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e9360Subventions
Organisme : Washington State University
Informations de copyright
© 2022 John Wiley & Sons Ltd.
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