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Structural elucidation of V‐type nerve agents by liquid chromatography/electrospray ionization mass spectrometry
Author(s) -
Shamai Yamin Tamar,
Prihed Hagit,
Madmon Moran,
Blanca Merav,
Weissberg Avi
Publication year - 2020
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.4617
Subject(s) - chemistry , amine gas treating , electrospray ionization , moiety , phosphonate , mass spectrometry , residue (chemistry) , electrospray , hydrolysis , mass spectrum , chromatography , ion , stereochemistry , combinatorial chemistry , organic chemistry
V‐nerve agents present information‐poor spectra, both in GC‐EI‐MS and LC‐ESI‐MS/MS, with dominant fragments/product ions corresponding to the amine‐containing residue. Hence, derivatives/isomers with the same amine residue exhibit similar mass spectral patterns, leading to ambiguity in the phosphonate structure. We present a simple approach for their structural elucidation based on two complementary experiments: ESI‐MS/MS of the original compound, which provides information about the amine moiety, and ESI‐MS/MS of the phosphonic acid hydrolysis products generated by N ‐iodosuccinimide, which provides ions' characteristic of the phosphonate structure. This approach enables the structural elucidation of the original V‐agents with a higher degree of certainty.