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The Protonation Site of 2-Methoxyethanol Under Chemical Ionization. An Experimental and Theoretical Study

✍ Scribed by Jaana M. H. Pakarinen; Pirjo Vainiotalo

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 386 KB
Volume: 10
Category: Article
ISSN: 0951-4198
DOI: 10.1002/(sici)1097-0231(199612)10:15<1901::aid-rcm750>3.0.co;2-#

No coin nor oath required. For personal study only.

✦ Synopsis

The mass spectral behavior of 2-methoxyethanol was studied under chemical ionization conditions with methane, isobutane, acetone and 3-pentanone as reagent gases. The protonated ion, [M+H]+, was of high abundance in the case of methane, isobutane and acetone chemical ionization. The ion decomposed readily by loss of water. However, using acetone or 3-pentanone chemical ionization, a number of adduct ions were produced, including the ions [M+43]+ and [M+59]+, or [M+57]+ and [M+87]+, respectively. The most probable protonation site of 2-methoxyethanoi and different conformations of the structures were studied by theoretical ab initio cakulations.

Together, six different low-energy conformers, where the proton is situated either on the ether oxygen or on the hydroxyl oxygen, were located.

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