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P-31 NMR and ESI-MS Study of Fenitrothion-Copper Ion Complex: Experimental and Theoretical Studyopen access
- Authors
- Choi, Hojune; Yang, Kiyull; Park, Jong Keun; Koo, In Sun
- Issue Date
- 20-May-2010
- Publisher
- WILEY-V C H VERLAG GMBH
- Keywords
- Fenitrothion (FN); Electrospray ionization mass spectrometry (ESI-MS); Density functional theory (DFT); Cu2+-FN complex
- Citation
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.31, no.5, pp 1339 - 1342
- Pages
- 4
- Indexed
- SCI
SCIE
SCOPUS
KCI
- Journal Title
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY
- Volume
- 31
- Number
- 5
- Start Page
- 1339
- End Page
- 1342
- ISSN
- 0253-2964
1229-5949
- Abstract
- P-31 NMR and ESI-MS studies of Cu2+ binding to Fenitrothion (FN) were performed by experimentally and theoretically. The calculated P-31 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.
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