游离棉酚代谢产物gossypolone的半合成法制备及质谱表征

以棉酚为原料,采用半合成方法,制备棉酚氧化产物gossypolone,采用ESI-QTOF/MS飞行时间质谱和LCMS/MS对产物的结构进行验证,用HPLC分析产物的纯度。结果显示,产物的分子量、分子式、结构式均与棉酚氧化产物gossypolone一致,可以推测产物为棉酚氧化产物gossypolone,纯度≥95%。

Characterizing some gossypol and gossypolone Schiff's bases by studying their fragmentation patterns with electrospray ionization tandem mass spectra

To investigate the structural form of gossypol and gossypolone Schiff＇s bases, seven relevant Schiff＇s bases were synthesized and the electrospray ionization-tandem mass spectrometry （ESI-MS/MS） with low-energy collision-induced dissociation was used to analyze their fragmentations. A common fragmentation pathway with the loss of RNH2 from those schiff＇s bases quasi-molecular ions was observed and proposed on the basis of their MS/MS spectra data. This common pathway indicated that those Schiff＇s bases existed mainly as the enamine form not the imine form previously showed in most reports.