5种丁香酚类化合物的电喷雾质谱裂解规律研究

目的研究5种渔用麻醉剂的电喷雾质谱裂解规律。方法采用电喷雾离子源(ESI源),对丁香酚、甲基丁香酚、甲基异丁香酚、乙酰基异丁香酚和MS-222进行质谱分析。根据结构分为正、负2种离子检测方式(ESI~(+/-)),含有酚羟基团的丁香酚采用负离子检测方式,其余4种化合物采用正离子检测方式。结果在正、负离子检测模式下,5种渔用麻醉剂准分子离子分别为[M+H]~+和[M-H]~-。对准分子离子进行碰撞诱导解离(collision induced dissociation,CID),得到特征离子碎片。分析了5种化合物在相应离子模式下的电喷雾质谱裂解途径。结论本研究所提出的电喷雾质谱裂解规律,可为同类型分子结构的渔用麻醉剂的结构分析和鉴定研究提供了参考依据。

Fragmentation pattern of 5 kinds of eugenol compounds by electrospray ionization mass spectrometry

Objective To investigate the fragmentation pathways of 5 kinds of fish anesthetics by electrospray ionization mass spectrometry (ESI-MS). Methods The mass spectrometry of eugenol, methyl-eugenol, methyl-isoeugenol, acetyl-isoeugenol and MS-222 were performed by electrospray ionization source. According to the structure, the detection was divided into positive and negative ion detection methods (ESI+/-), eugenol containing phenolic hydroxyl group was tested by negative ion, and the other four compounds were tested by positive ion detection. Results In the positive and negative ion detection mode, the 5 kinds of fishery anaesthetic excimer ions were [M+H]+ and [M-H]-. The characteristic fragment ions were gotten after collision-induced dissociation. The fragmentation pathways of 5 kinds of fish anesthetics were analyzed. Conclusion The investigation of the fragmentation mechanism of 5 kinds of fish anesthetics can provide references for structural analysis and detection of fish anesthetics with the same type of molecular structure.