Department of Food and Drug, University of Parma, Viale Delle Scienze 17/A, I-43124 Parma, Italy.
Waters Corporation, Altrincham Road, SK9 4AX Wilmslow, United Kingdom.
J Agric Food Chem. 2020 Sep 30;68(39):10937-10943. doi: 10.1021/acs.jafc.0c04498. Epub 2020 Sep 10.
Parent and modified mycotoxin analysis remains a challenge because of their chemical diversity, the presence of isomeric forms, and the lack of analytical standards. The creation and application of a collision cross section (CCS) database for mycotoxins may bring new opportunities to overcome these analytical challenges. However, it is still an open question whether common CCS databases can be used independently from the instrument type and ion mobility mass spectrometry (IM-MS) technologies, which utilize different methodologies for determining the gas-phase mobility. Here, we demonstrated the reproducibility of CCS measurements for mycotoxins in an interlaboratory study (average RSD 0.14% ± 0.079) and across different traveling wave IM-MS (TWIMS) systems commercially available (ΔCCS% < 2). The separation in the drift time dimension of critical pairs of isomers for modified mycotoxins was also achieved. In addition, the comparison of measured and predicted CCS values, including regulated and emerging mycotoxins, was addressed.
由于其化学多样性、同系物的存在以及分析标准的缺乏，对母体和修饰真菌毒素的分析仍然是一个挑战。真菌毒素碰撞截面 (CCS) 数据库的创建和应用可能为克服这些分析挑战带来新的机遇。然而，通用 CCS 数据库是否可以独立于仪器类型和离子淌度质谱 (IM-MS) 技术使用，这些技术利用不同的方法来确定气相迁移率，这仍然是一个悬而未决的问题。在这里，我们通过实验室间研究（平均 RSD 为 0.14% ± 0.079）和跨不同市售的行波 IM-MS (TWIMS) 系统（CCS%Δ<2）证明了真菌毒素 CCS 测量的重现性。还实现了修饰真菌毒素的关键同系物对在漂移时间维度上的分离。此外，还解决了包括法规和新兴真菌毒素在内的实测和预测 CCS 值的比较问题。
