Investigations of the fragmentation behavior of 11 isoflavones with ESI-IT-TOF-MSn

Yazhou Zhang, Feng Xu, Jianye Zhang, Tao YI, Yina Tang, Jun XU, Wanling Peng, Hubiao CHEN*

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

16 Citations (Scopus)
83 Downloads (Pure)


The fragmentation behavior of isoflavones was studied using electrospray ionization-ion-trap-time of flight mass spectrometry (ESI-IT-TOF-MSn). It was found that the isoflavone glycoside bond was easily broken. The fragmentation occurred mostly on the -Cring, and the fragment ions of A1,3+ produced by the RDA cracking will predict the hydroxylation replacement on A-ring or B-ring. In addition, four carbonyl groups on the C-ring were fragmented through neutral loss of 28 (-CO). A and B-rings primarily lose substituents which including a neutral losses of 32 (-CH3OH), 16 (-CH4), or 16 (-O), and 18 (-H2O). A-ring in the presence of adjacent hydroxylation, also easily made to be a neutral losses of 28 (-CO) or 18 (-H2O). It is likewise common to see methoxy replaced with a neutral losses of 16 (-CH4) or 32 (-CH3OH) in Bring, also the hydroxylation on benzene ring can occasionally results with the neutral loss of 28 (-CO).

Original languageEnglish
Pages (from-to)631-641
Number of pages11
JournalJournal of Chinese Pharmaceutical Sciences
Issue number9
Publication statusPublished - 23 Sept 2014

Scopus Subject Areas

  • Pharmaceutical Science

User-Defined Keywords

  • Fragmentation behavior
  • Isoflavone


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