用于可食用香料质量分析的FT-ICR-MS数据预处理方法研究

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Abstract： The quality consistency evaluation of edible spices can ensure the consistency offood flavor. In this paper， a rapid method for analyzing the qualityof spices was established based on Fourier Transform Ion Cyclotron Resonance Mass Spectrometry （FT-ICR-MS）combined with a manual injection strategy without adding internal standards.The masspectrometry data were preprocessed bydenoising，interpolation and normalization.The outliers in the repeated testsof the samples were screened bythe correlation coefficient method，and the quality of the interpolated data was evaluated bythe principal component analysis method to verifythe feasibilityofthecompressed data.The results showed that the undiluted samples of spice Aand spice B in positive ion mode were divided into the range of 0% to 2% and 0% to 3% methanol volume fractions， respectively， and the samples in this range could be recognized as qualified in actual production.The negative ion mode sample has a low response，and the positive ion mode evaluation of edible spices is preferred.

Keywords： edible fragrances; Fourier Transform Ion Cyclotron Resonance Mass Spectrometry （FT-ICR-MS）; quality analysis; data preprocessing

可食用香料在食品增香环节中扮演重要角色，通常由 20～200 种成分组成[。（剩余4870字）