UPLC-Q-Tof/MS非靶向快速筛查野樱莓冻干粉中的多酚类化合物

Non-target Screening of Polyphenolic Compounds in Lyophilized Aronia Powder by UPLC-Q-Tof/MS

  • 摘要: 建立了超高效液相色谱-四极杆-飞行时间质谱仪(UPLC-Q-Tof/MS)检测野樱莓冻干粉成分的方法.采用梯度洗脱的色谱分离方式,分别采集ESI正离子和ESI负离子两种模式下的质谱数据,并根据目标化合物特征离子的精确质量数、二级碎片信息等进行数据库匹配,在无标准品情况下利用Unify 1.7软件非靶向快速筛查野樱莓冻干粉的多酚类组分.结果表明,ESI正离子和ESI负离子模式下分别检测出60余种和200余种多酚类物质,且质量数偏差均在3 mDa以内.

     

    Abstract: An ultra-high performance liquid chromatography-quadrupole-time-of-flight mass spectrometer (UPLC-Q-TOF/MS) method was developed for the determination of lyophilized aronia powder. The separation was performed with a gradient elution and the mass spectrometry data was collected in both ESI positive ion and ESI negative ion modes. Moreover, the acquired data was compared with the database of the characteristic ions of targeted molecules, such as the exact mass and secondary fragmentation information. The Unify 1.7 software was used for the rapid non-targeted screening of polyphenolic components without reference standards.The results showed that more than 60 polyphenols in ESI positive ion mode and more than 200 polyphenols in ESI negative ion mode were detected, respectively, and the mass deviation was less than 3 mDa.

     

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