高效液相色谱-四级杆飞行时间质谱法鉴别白酒中羧酸

Identification of Carboxylic Acid Compounds in Baijiu by LC-QTOF

利用高效液相色谱-四级杆飞行时间质谱联用(LC-QTOF)技术,主要分析白酒中的羧酸类化合物。根据化合物质荷比、同位素相对丰度、同位素比例等的相似度,初步确定白酒中的羧酸化合物的目标离子,并以各羧酸在目标离子扫描模式下的断裂规律、二级质谱碎片离子为依据,对应解析、定性白酒中的羧酸。该方法共定性分析出白酒中46种羧酸成分,其中包括5个α-羟基羧酸,3个杂环羧酸,4个芳香羧酸,3个二羧酸,5个酚酸,26个一元羧酸。研究结果表明,该方法能有效地分辨白酒中相同分子式下的酸酯成分,解析白酒中的羧酸成分。

Carboxylic acid compounds in Baijiu were analyzed by LC-QTOF.According to the mass-to-charge ratio of the compounds,the relative abundance of isotopes,and isotope ratio etc.,the target ions of carboxylic acid compounds in Baijiu were initially determined.Based on the fracture laws of each carboxylic acid under target ion scanning mode and the secondary mass spectrometry debris ions,the corresponding carboxylic acids in Baijiu were analyzed and determined.A total of 46 carboxylic acid compounds in Baijiu were determined,including 5α-hydroxycarboxylic acids,3 heterocyclic carboxylic acids,4 aromatic carboxylic acids,3 dicarboxylic acids,5 phenolic acids,and 26 monocarboxylic acids.This method could distinguish the acids and esters of the same molecular formula in Baijiu effectively,and could be used in the determination of carboxylic acid compounds in Baijiu.