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目的建立一种快速筛查食品中违禁着色剂的液相色谱-串联四极杆飞行时间质谱(liquid chromatography-tandem quadrupole time of flight mass spectrometry,LC-QTOF-MS)检测方法。方法收集102种着色剂名称、CAS号、中性分子式、结构式等信息并录入到PCDL软件中。配制相应着色剂溶液后,在MS模式下采集一级谱图数据。确认一级质谱数据后,在Targeted MS/MS模式下给予目标离子10~60 e V的碰撞能,获取二级谱图数据。结果本研究建立了102种着色剂(其中可食用色素16种、违禁工业染料86种)的一级和二级质谱谱库,同时分离了8组相近中性分子量着色剂。结论该方法快速、准确、灵敏,适合筛查食品中未知违禁添加的着色剂并可以快速分离定量。
Objective To establish a liquid chromatography-tandem quadrupole time of flight mass spectrometry (LC-QTOF-MS) method for rapid screening of prohibited colorants in food. Methods 102 colorant names, CAS numbers, neutral molecular formulas and structural formulas were collected and entered into PCDL software. After formulating the corresponding colorant solution, first-order spectrogram data was collected in MS mode. After confirming MS data, the collision energy of 10 ~ 60 e V of target ions is given in Targeted MS / MS mode to obtain the secondary spectrum data. Results In this study, 102 primary and secondary mass spectral libraries of 102 coloring agents (16 edible pigments and 86 prohibited industrial dyes) were established. Eight groups of similar neutral molecular weight colorants were also isolated. Conclusion The method is rapid, accurate and sensitive. It is suitable for screening unidentified added colorants in food and can be quickly separated and quantified.