烟草科技2026，Vol.59Issue(5)：1-16,16.DOI:10.16135/j.issn1002-0861.2025.0399
基于液相色谱-高分辨质谱的天然香原料非靶向分析
Non-targeted analysis of natural flavors based on liquid chromatography-high resolution mass spectrometry
摘要
Abstract
To develop a non-targeted analytical method based on liquid chromatography-high resolution mass spectrometry(LC-HRMS)for natural flavors,the effects of sample pretreatment method and chromatography-MS conditions on the detection were systematically investigated,and the detection results of the non-targeted analytical method was further evaluated.The results showed that:1)A ternary solvent combination of Vmethanol∶Vacetonitrile∶Vwater=35∶35∶30 combined with 20 min ultrasound treatment could achieve better extraction results,and the operation was convenient.2)The single-stage gradient elution was performed on the complementary C18 and Amide chromatographic columns,in which 0.1%(volume fraction)formic acid was added to the mobile phase of the C18 column,and 0.1%formic acid and 5 mmol/L ammonium acetate were added to the mobile phase of the Amide column.The effects of injection volume and column temperature were not obvious,which were set at 2 µL and 30℃,respectively.3)The optimized MS conditions were separate scans for positive and negative ion modes,full MS scans in the range of m/z 70-1 050 with a resolution of 60 000,and the normalized collision energies of 20%,40%and 60%,respectively.4)All the total ion chromatograms obtained from the multi-needle injection under the"dual-column dual-mode"detection conditions showed good overlap,and the complementary combination of the reversed-phase and hydrophilic interaction modes of the two columns as well as the synergistic positive and negative ion detection modes could effectively improve the coverage of compound identification.The developed non-targeted analysis method based on the"dual-column dual-mode"for natural flavors showed high detection throughput and good stability,and is suitable for quality control and compositional analysis of complex natural flavors.关键词
天然香原料/非靶向分析/液相色谱-高分辨质谱/样品前处理Key words
Natural flavor/Non-targeted analysis/Liquid chromatography-high resolution mass spectrometry/Sample pretreatment分类
化学化工引用本文复制引用
陈满堂,罗玮,王晓瑜,文建辉,谢复炜,冯叶,吴君章,董道竹,王雨凝,陈洋,聂聪..基于液相色谱-高分辨质谱的天然香原料非靶向分析[J].烟草科技,2026,59(5):1-16,16.基金项目
中国烟草总公司科技重点研发项目"料用香原料特征解析及其在数字化调香中的应用"(110202202003) （110202202003）
国家烟草专卖局创新平台科研活动稳定支持专项(312021AW0420). （312021AW0420）
