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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 31, Number 5
BKCSDE 31(5)
May 20, 2010 

31P NMR and ESI-MS Study of Fenitrothion-Copper Ion Complex:
Experimental and Theoretical Study
Hojune Choi, Kiyull Yang*, Jong Keun Park, In Sun Koo*
Fenitrothion (FN), Electrospray ionization mass spectrometry (ESI-MS), Density functional theory (DFT), Cu2+-FN complex
31P NMR and ESI-MS studies of Cu2+ binding to Fenitrothion (FN) were performed by experimentally and theoretically. The calculated 31P NMR chemical shifts for FN-Cu2+ complexes are in good agreement with experimental chemical shifts in order, and the results present an important information for organophosphorus pesticide metal complexes. ESI-MS and low energy CID MS/MS experiments of FN-Cu2+ complexes combined with accurate mass measurements give insight into the metal localization and allow unambiguous identification of fragments and hydrolysis products.
1339 - 1342
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