Electrospray ionization ion mobility spectrometry of carboxylate anions: Ion mobilities and a mass-mobility correlation

Hugh I. Kim, Paul V. Johnson, Luther W. Beegle, J. L. Beauchamp, Isik Kanik

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

A number of carboxylate anions spanning a mass range of 87-253 amu (pyruvate, oxalate, malonate, maleate, succinate, malate, tartarate, glutarate, adipate, phthalate, citrate, gluconate, 1,2,4-benzenetricarboxylate, and 1,2,4,5-benzenetetracarboxylate) were investigated using electrospray ionization ion mobility spectrometry. Measured ion mobilities demonstrated a high correlation between mass and mobility in both N 2 and CO 2 drift gases. Such a strong mass-mobility correlation among structurally dissimilar ions suggests that the carboxylate functional group that these ions have in common is the source of the correlation. Computational analysis was performed to determine the most stable conformation of the studied carboxylate anions in the gas phase under the current experimental conditions. This analysis indicated that the most stable conformations for multicarboxylate anions included intramolecular hydrogen-bonded ring structures formed between the carboxylate group and the neutral carboxyl group. The carboxylate anions that form ring confirmations generally show higher ion mobility values than those that form extended conformations. This is the first observation of intramolecular hydrogen-bonded ring conformation of carboxylate anions in the gas phase at atmospheric pressure.

Original languageEnglish
Pages (from-to)7888-7895
Number of pages8
JournalJournal of Physical Chemistry A
Volume109
Issue number35
DOIs
Publication statusPublished - 2005 Sep 8
Externally publishedYes

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Electrospray ionization
Spectrometry
carboxylates
Anions
Spectrum Analysis
Ions
Conformations
anions
ionization
spectroscopy
Gases
ions
Hydrogen
Glutarates
Atmospheric Pressure
Oxalates
vapor phases
pyruvates
maleates
Succinic Acid

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Electrospray ionization ion mobility spectrometry of carboxylate anions : Ion mobilities and a mass-mobility correlation. / Kim, Hugh I.; Johnson, Paul V.; Beegle, Luther W.; Beauchamp, J. L.; Kanik, Isik.

In: Journal of Physical Chemistry A, Vol. 109, No. 35, 08.09.2005, p. 7888-7895.

Research output: Contribution to journalArticle

Kim, Hugh I. ; Johnson, Paul V. ; Beegle, Luther W. ; Beauchamp, J. L. ; Kanik, Isik. / Electrospray ionization ion mobility spectrometry of carboxylate anions : Ion mobilities and a mass-mobility correlation. In: Journal of Physical Chemistry A. 2005 ; Vol. 109, No. 35. pp. 7888-7895.
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