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Gas phase hydrogen/deuterium exchange in electrospray ionization mass spectrometry as a practical tool for structure elucidation

Two methods for gas phase hydrogen/deuterium exchange have been developed for the analysis of small molecules. Hydrogen/deuterium exchange has been implemented by making simple modifications to the plumbing for the nebulizer and curtain gases on a nebulization-assisted electrospray ion source. The n...

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Published in:Journal of the American Society for Mass Spectrometry 1994-05, Vol.5 (5), p.434-442
Main Authors: Hemling, Mark E., Conboy, James J., Bean, Mark F., Mentzer, Mary, Carr, Steven A.
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Language:English
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cited_by cdi_FETCH-LOGICAL-c360t-5825cc25bc6e5cbda39c82fd231e4f9f48ce694eccb8629567d1c0aa0abb1d093
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container_issue 5
container_start_page 434
container_title Journal of the American Society for Mass Spectrometry
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creator Hemling, Mark E.
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description Two methods for gas phase hydrogen/deuterium exchange have been developed for the analysis of small molecules. Hydrogen/deuterium exchange has been implemented by making simple modifications to the plumbing for the nebulizer and curtain gases on a nebulization-assisted electrospray ion source. The nebulizer gas exchange method has demonstrated deuterium exchange levels of 84–97% for a variety of molecules representing a wide range of structural classes containing up to 51 potentially exchangeable hydrogens; this allowed determination of the number of exchangeable hydrogens for all of the molecules studied containing ≤ 25 labile hydrogens ( M r ≤ 3000). ND 3 gas consumption is minimized in the nebulizer method by toggling the nebulizer from air to ND 3 for only a few scans of the total sample elution period. The curtain gas exchange method is more variable, yielding exchange levels of 32–98% for the same set of molecules; this was still sufficient to allow determination of > 70% of the molecules studied containing ≤ 25 labile hydrogens. Gas consumption is minimized in the curtain method by replacing ≤ 10% of the curtain gas flow with ND 3. Neither the nebulizer nor curtain exchange method requires the use of deuterated or aprotic solvents at typical 2 μL/min flow rates.
doi_str_mv 10.1016/1044-0305(94)85059-3
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title Gas phase hydrogen/deuterium exchange in electrospray ionization mass spectrometry as a practical tool for structure elucidation
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