Study of Endocrine Disruptor Octylphenol Isomers Using Collision-Induced Dissociation Mass Spectrometry

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Fragmentation processes of molecular-related ions M<sup>+·</sup> and [M-H]<sup>-</sup> of phenolic endocrine disruptors, 4-<i>n</i>-octylphenol, 4-(1,1,3,3-tetramethyl-butyl)phenol, and 4-(1-ethyl-1-methyl-butyl)phenol, which are octylphenol isomers, have been studied using high- and low-energy collision-induced dissociation (CID) mass spectrometry. The product ion spectra revealed the isomeric structures of octyl group C<sub>8</sub>H<sub>17</sub> found in CID studies of both precursor ions, M<sup>+·</sup> and [M-H]<sup>-</sup>. The high-energy CID spectra of the deprotonated molecules [M-H]<sup>-</sup> were compared with the corresponding low-energy CID spectra. Although the fragmentation pattern of low-energy CID differed markedly from that of high-energy CID, both product ion spectra were useful in identifying the isomeric structures of the octyl group. The negative-ion products from the precursor [M-H]<sup>-</sup> could be explained by two mechanisms with homolytic cleavage, called charge-remote fragmentation (CRF), while the positive-ion products from M<sup>+·</sup> were understood as homolytic radical-initiated fragmentation (RIF) and heterolytic charge-initiated fragmentation (CIF).

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  • 質量分析 = Mass spectroscopy  

    質量分析 = Mass spectroscopy 56(5), 215-222, 2008-10-01 

    The Mass Spectrometry Society of Japan

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各種コード

  • NII論文ID(NAID)
    10021921531
  • NII書誌ID(NCID)
    AN0010555X
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    13408097
  • NDL 記事登録ID
    9675462
  • NDL 雑誌分類
    ZP4(科学技術--化学・化学工業--分析化学)
  • NDL 請求記号
    Z17-213
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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