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Mass spectrometric studies of the toxaphene components 2‐ exo ,3‐ endo ,5‐ exo ,6‐ endo ,8,8,10,10‐octachloroborane (T2) and 2‐ exo ,3‐ endo ,5‐ exo ,6‐ endo ,8,8,9,10,10‐nonachlorobornane (T12)
Author(s) -
Stern G. A.,
Muir D. C. G.,
Westmore J. B.,
Buchan W. D.
Publication year - 1993
Publication title -
biological mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1052-9306
DOI - 10.1002/bms.1200220104
Subject(s) - chemistry , toxaphene , fragmentation (computing) , electron ionization , mass spectrum , ion , norbornane , chlorine atom , chlorine , mass spectrometry , polyatomic ion , mass , ionization , electrospray ionization , medicinal chemistry , stereochemistry , analytical chemistry (journal) , organic chemistry , chromatography , pesticide , computer science , agronomy , biology , operating system
The electron capture negative ion mass spectra of the title compounds show prominent [M – Cl] − ions, and low‐abundance ions formed by further elimination of HCl or Cl 2 . The electron ionization positive ion mass spectra are complex, but structurally informative fragmentations are observed. In particular, fragmentations involving elimination of C 2 H 2 Cl 2 , and not of C 2 H 4 , C 2 H 3 Cl, C 2 HCl 3 or C 2 Cl 4 , indicate that two chlorines are bound to the C2–C3 and C5–C6 units of a norbornane skeleton. Furthermore, from M + ˙, elimination of HCl is enhanced with respect to Cl˙, relative to toxicants A and B, which are major components of commercial toxaphene; this result suggests that one chlorine atom is bound to each of carbons 2, 3, 5 and 6. Both compounds have CHCl 2 substituents. Several of the fragmentation pathways appear to terminate at ions that may be tropylium analogues.