Hamburg School of Food Science, Institute of Food Chemistry, University of Hamburg , Grindelallee 117, 20146 Hamburg, Germany.
Anal Chem. 2017 Oct 3;89(19):10474-10486. doi: 10.1021/acs.analchem.7b02592. Epub 2017 Sep 19.
Nontargeted screening methods with ultrahigh-performance liquid chromatography-electrospray ionization/quadrupole-time-of-flight mass spectrometry have been extensively applied to plant metabolomics to very diverse scientific issues in plant metabolomics. In this study, different mobile phase additives were tested in order to improve the electrospray ionization process and to detect as many metabolites as possible with high peak intensities in positive and negative ionization mode. Influences of modifiers were examined for nonpolar and polar compounds, as optimal conditions are not always the same. By combining different additives, metabolite coverage could be significantly increased. The best results for polar metabolites in positive ionization mode were achieved by using 0.1% acetic acid and 0.1% formic acid in negative ionization mode. For measurements of nonpolar metabolites in positive ionization mode, the application of 10 mmol/L ammonium formate led to the best findings, while the use of 0.02% acetic acid was more appropriate in negative ionization mode.
采用超高效液相色谱-电喷雾电离/四极杆飞行时间质谱的非靶向筛选方法已广泛应用于植物代谢组学，以解决植物代谢组学中非常多样化的科学问题。在这项研究中，测试了不同的流动相添加剂，以改善电喷雾电离过程，并在正、负离子模式下尽可能多地检测到具有高峰强度的代谢物。考察了修饰剂对非极性和极性化合物的影响，因为最佳条件并非总是相同。通过组合不同的添加剂，可以显著提高代谢物的覆盖范围。在正离子模式下，最佳的极性代谢物结果是使用 0.1%乙酸和 0.1%甲酸；而在负离子模式下，10mmol/L 甲酸铵的应用则得到了最佳的结果。对于正离子模式下非极性代谢物的测量，使用 0.02%乙酸更为合适。
