实时直接分析-四极杆飞行时间质谱法快速分析青果槟榔和烟果槟榔代谢物差异

Rapid analysis of metabolite differences between green and smoked Areca catechu L. by direct analysis in real time-quadrupole time-of-flight mass spectrometry

中文关键词:  青果槟榔  烟果槟榔  实时直接分析  化学计量学分析  差异代谢物

英文关键词:green Areca catechu L.  smoked Areca catechu L.  direct analysis in real time  chemometric analysis  differential metabolites

中文摘要:

      目的 基于实时直接分析-四极杆飞行时间质谱法(direct analysis in real time-quadrupole time-of-flight mass spectrometry, DART-QTOF-MS)结合非靶向代谢组学, 快速分析青果槟榔与烟果槟榔代谢物差异。方法 通过单因素实验, 考察影响DART离子源电离效率的关键因素; 结合QTOF-MS以TOF MS和信息依赖采集模式分别在正离子和负离子模式下获得质谱数据, 采用多元统计学软件建立无监督和有监督的判别模型并筛选差异化合物。采用MarkerView 1.3.1、PeakView软件及在线数据库对差异化合物进行初步鉴定。结果 在正负两种扫描模式下, DART离子源的最佳工作条件为: 离子化温度500℃、样品传输速度0.2 mm/s。在此条件下发现两种食用槟榔化学成分存在差异, 获得了25种差异化合物; 烟果槟榔中有20种化合物的相对含量高于青果槟榔, 有5种化合物的相对含量低于青果槟榔。结论 本研究采用实时直接分析质谱技术, 具有操作方便、分析速度快、准确度高和稳定性好的优点。同时, 该研究从代谢组学角度初步揭示了青果槟榔与烟果槟榔代谢物的差异性, 可为食用槟榔的加工工艺研究及品质提升提供参考依据。

英文摘要:

      Objective To rapidly analyze the metabolite differences between green and smoked Areca catechu L. based on direct analysis in real time-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) combined with non-targeted metabolomics. Method The key factors affecting the ionization efficiency of the DART ion source were investigated by single-factor experiments; mass spectrometry data were obtained in positive and negative ion mode by combining QTOF-MS with TOF MS and information-dependent acquisition mode, respectively; unsupervised and supervised discriminant models were established and screened for differential compounds using multivariate statistical software. MarkerView 1.3.1, PeakView software and the online database were used to preliminary identify the differential compounds. Result The optimal operating conditions of the DART ion source in both positive and negative modes were: Ionization temperature 500℃, sample transfer rate 0.2 mm/s. Under these conditions, there were differences in the chemical composition of the two edible Areca catechu L.. A total of 25 kinds of different compounds were obtained; the relative content of 20 kinds of compounds were higher in the smoked Areca catechu L. than that in the green Areca catechu L., and the relative content of 5 kinds of compounds were lower than that in the green Areca catechu L.. Conclusion This study uses the real-time direct analysis mass spectrometry technique, which has the advantages of easy operation, fast analysis speed, high accuracy and good stability. Meanwhile, this study initially reveals the metabolite differences between green and smoked Areca catechu L. from a metabolomic perspective, which can provide a reference for processing research and quality improvement of edible Areca catechu L..