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高等学校化学研究 ›› 2004, Vol. 20 ›› Issue (6): 729-733.

• Articles • 上一篇    下一篇

Studies on Fragmentation Regularity of 5-Methoxycarbonyl-4-substituted-6-methyl-3,4-dihydropyrimidin-2(1H)-ones by Time-of-flight Mass Spectrometry

LI Qian-rong1, SALEHI Hojatollah2,3, YIN Hao1, Qing-xiang2   

  1. 1. Structure Research Laboratory;
    2. Department of Chemistry, University of Science and Technology of China, Hefei 230026, P. R. China;
    3. Scholarship Department, Ministry of Science, Research and Technology, P. O. Box 15875-6186, Tehran, Iran
  • 收稿日期:2003-11-17 出版日期:2004-12-24 发布日期:2011-08-06
  • 基金资助:

    Supported by National Natural Science Foundation of China(No.20332020).

Studies on Fragmentation Regularity of 5-Methoxycarbonyl-4-substituted-6-methyl-3,4-dihydropyrimidin-2(1H)-ones by Time-of-flight Mass Spectrometry

LI Qian-rong1, SALEHI Hojatollah2,3, YIN Hao1, Qing-xiang2   

  1. 1. Structure Research Laboratory;
    2. Department of Chemistry, University of Science and Technology of China, Hefei 230026, P. R. China;
    3. Scholarship Department, Ministry of Science, Research and Technology, P. O. Box 15875-6186, Tehran, Iran
  • Received:2003-11-17 Online:2004-12-24 Published:2011-08-06
  • Supported by:

    Supported by National Natural Science Foundation of China(No.20332020).

PDF (PC)

摘要： The electron impact time-of-flight(TOF) mass spectra of the title compounds were studied to establish their fragmentation processes. With the high resolution of the TOF instrument, the exact mass for each fragment was determined. These data were used to infer the molecular formulas and the elemental compositions for all the molecular ions and fragments through software interpretation. By further applying the fragmentation regularity, the majority of ions were fully assigned. The main fragmentation pathways of the title compounds include the formation of molecular ions by the loss of R1 groups in the 4-position and the ester groups in the 5-position. The formed ion can be further fragmented by the elimination of MeOH.

关键词: 3, 4-Dihydropyrimidinone, Time-of-flight mass spectrometry, Electron impact

Abstract: The electron impact time-of-flight(TOF) mass spectra of the title compounds were studied to establish their fragmentation processes. With the high resolution of the TOF instrument, the exact mass for each fragment was determined. These data were used to infer the molecular formulas and the elemental compositions for all the molecular ions and fragments through software interpretation. By further applying the fragmentation regularity, the majority of ions were fully assigned. The main fragmentation pathways of the title compounds include the formation of molecular ions by the loss of R1 groups in the 4-position and the ester groups in the 5-position. The formed ion can be further fragmented by the elimination of MeOH.

Key words: 3,4-Dihydropyrimidinone, Time-of-flight mass spectrometry, Electron impact