Cargando…
Gas-Phase Adsorption of N(2) on Protonated Molecules and Its Application to the Structural Elucidation of Small Molecules
The gas-phase adsorption of N(2) on protonated serine (Ser, C(3)H(7)NO(3)), threonine (Thr, C(4)H(9)NO(3)), glycine (Gly, C(2)H(5)NO(2)), and 2-aminoethanol (C(2)H(7)NO) was investigated using a tandem mass spectrometer equipped with an electrospray ionization source and a cold ion trap. N(2) molecu...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Mass Spectrometry Society of Japan
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8188007/ https://www.ncbi.nlm.nih.gov/pubmed/34136324 http://dx.doi.org/10.5702/massspectrometry.A0096 |
_version_ | 1783705253615501312 |
---|---|
author | Murashima, Hiromori Fujihara, Akimasa |
author_facet | Murashima, Hiromori Fujihara, Akimasa |
author_sort | Murashima, Hiromori |
collection | PubMed |
description | The gas-phase adsorption of N(2) on protonated serine (Ser, C(3)H(7)NO(3)), threonine (Thr, C(4)H(9)NO(3)), glycine (Gly, C(2)H(5)NO(2)), and 2-aminoethanol (C(2)H(7)NO) was investigated using a tandem mass spectrometer equipped with an electrospray ionization source and a cold ion trap. N(2) molecules were adsorbed on the free X–H (X=O and N) groups of protonated molecules. Gas-phase N(2) adsorption-mass spectrometry detected the presence of free X–H groups in the molecular structures, and was applied to the structural elucidation of small molecules. When the 93 structures with an elemental composition of C(3)H(7)NO(3) were filtered using the gas-phase N(2) adsorption-mass spectrometry results for Ser, the number of possible molecular structures was reduced to 8 via the quantification of the X–H groups. Restricting and minimizing the number of possible candidates were effective steps in the structural elucidation process. Gas-phase N(2) adsorption-mass spectrometry combined with mass spectrometry-based techniques has the potential for being useful for elucidating the molecular structures of a variety of molecules. |
format | Online Article Text |
id | pubmed-8188007 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | The Mass Spectrometry Society of Japan |
record_format | MEDLINE/PubMed |
spelling | pubmed-81880072021-06-15 Gas-Phase Adsorption of N(2) on Protonated Molecules and Its Application to the Structural Elucidation of Small Molecules Murashima, Hiromori Fujihara, Akimasa Mass Spectrom (Tokyo) Original Article The gas-phase adsorption of N(2) on protonated serine (Ser, C(3)H(7)NO(3)), threonine (Thr, C(4)H(9)NO(3)), glycine (Gly, C(2)H(5)NO(2)), and 2-aminoethanol (C(2)H(7)NO) was investigated using a tandem mass spectrometer equipped with an electrospray ionization source and a cold ion trap. N(2) molecules were adsorbed on the free X–H (X=O and N) groups of protonated molecules. Gas-phase N(2) adsorption-mass spectrometry detected the presence of free X–H groups in the molecular structures, and was applied to the structural elucidation of small molecules. When the 93 structures with an elemental composition of C(3)H(7)NO(3) were filtered using the gas-phase N(2) adsorption-mass spectrometry results for Ser, the number of possible molecular structures was reduced to 8 via the quantification of the X–H groups. Restricting and minimizing the number of possible candidates were effective steps in the structural elucidation process. Gas-phase N(2) adsorption-mass spectrometry combined with mass spectrometry-based techniques has the potential for being useful for elucidating the molecular structures of a variety of molecules. The Mass Spectrometry Society of Japan 2021 2021-06-10 /pmc/articles/PMC8188007/ /pubmed/34136324 http://dx.doi.org/10.5702/massspectrometry.A0096 Text en Copyright © 2021 Hiromori Murashima and Akimasa Fujihara. https://creativecommons.org/licenses/by/2.5/This is an open-access article distributed under the terms of Creative Commons Attribution Non-Commercial 4.0 International License, which permits use, distribution, and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes. |
spellingShingle | Original Article Murashima, Hiromori Fujihara, Akimasa Gas-Phase Adsorption of N(2) on Protonated Molecules and Its Application to the Structural Elucidation of Small Molecules |
title | Gas-Phase Adsorption of N(2) on Protonated Molecules and Its Application to the Structural Elucidation of Small Molecules |
title_full | Gas-Phase Adsorption of N(2) on Protonated Molecules and Its Application to the Structural Elucidation of Small Molecules |
title_fullStr | Gas-Phase Adsorption of N(2) on Protonated Molecules and Its Application to the Structural Elucidation of Small Molecules |
title_full_unstemmed | Gas-Phase Adsorption of N(2) on Protonated Molecules and Its Application to the Structural Elucidation of Small Molecules |
title_short | Gas-Phase Adsorption of N(2) on Protonated Molecules and Its Application to the Structural Elucidation of Small Molecules |
title_sort | gas-phase adsorption of n(2) on protonated molecules and its application to the structural elucidation of small molecules |
topic | Original Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8188007/ https://www.ncbi.nlm.nih.gov/pubmed/34136324 http://dx.doi.org/10.5702/massspectrometry.A0096 |
work_keys_str_mv | AT murashimahiromori gasphaseadsorptionofn2onprotonatedmoleculesanditsapplicationtothestructuralelucidationofsmallmolecules AT fujiharaakimasa gasphaseadsorptionofn2onprotonatedmoleculesanditsapplicationtothestructuralelucidationofsmallmolecules |