A new analytical method for untargeted screening of flavor compounds in goat milk and milk flavor using mass spectrometry was developed and validated. All compounds of low molecular weight were considered as candidate chemicals, instead of focusing only on compounds that already have a known affect on the flavor quality of goat milk. High performance liquid chromatography coupled with high resolution quadrupole orbitrap mass spectrometry based on external standard was used to analyse flavor compounds in complex samples. The untargeted screening strategy is data pre-processing, automated componentization, suspect library spectra searching and the retained analytes confirming based on the reference standard solutions. Forty-two flavor compounds were confirmed and analyzed. The established method was validated by considering the guidelines specified in Commission Decision 2002/657/EC and European SANCO/12571/2013 Guideline 2013. This validated method was successfully applied to samples detection, and some unique flavor compounds were found between goat milk and milk flavor samples, which can provide some useful references for the illicit addition of flavors and fragrances in dairy products.

开发并验证了一种新的分析方法，该方法可用于质谱分析中无目标地筛选山羊奶和牛奶风味中的风味化合物。所有低分子量化合物均被视为候选化学物质，而不是仅关注已经对​​山羊奶的风味质量产生已知影响的化合物。高效液相色谱结合基于外标的高分辨率四极杆轨道质谱仪用于分析复杂样品中的风味化合物。无目标筛选策略是数据预处理，自动成分化，可疑库谱搜索以及基于参考标准溶液的保留分析物确认。确认并分析了42种风味化合物。