Tulp M T, Hutzinger O
Biomed Mass Spectrom. 1978 Mar;5(3):224-31. doi: 10.1002/bms.1200050311.
The methyl ethers of a number of hydroxylated (poly)chlorodibenzo-p-dioxins, chlorodibenzofurans, chlorodiphenyl ethers and chloronaphthalenes, representing all different hydroxy substitutions, were synthesized and their mass spectra investigated. With the exception of the methoxy derivatives of the chlorodibenzofurans, it appeared that the mass fragmentation patterns of the structural isomers of each class of compounds were very specific and allowed unambiguous assignment of the position of the methoxy group in the molecule. The different fragmentation patterns can be explained in terms of plausible mechanisms resulting in stable charge delocalized (oxonium) ions. Because of its diagnostic value, this method is useful in the structure elucidation of hydroxylated metabolites of pure isomers of chlorodibenzo-p-dioxins, chlorodiphenyl ethers and chloronaphthalenes.
合成了一系列具有不同羟基取代情况的羟基化（多）氯代二苯并 - 对 - 二噁英、氯代二苯并呋喃、氯代二苯醚和氯萘的甲基醚，并对它们的质谱进行了研究。除氯代二苯并呋喃的甲氧基衍生物外，似乎每类化合物的结构异构体的质谱碎裂模式都非常独特，能够明确确定分子中甲氧基的位置。不同的碎裂模式可以通过合理的机制来解释，这些机制会产生稳定的电荷离域（氧鎓）离子。由于其诊断价值，该方法对于氯代二苯并 - 对 - 二噁英、氯代二苯醚和氯萘的纯异构体的羟基化代谢产物的结构解析很有用。
