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ASAP-MS 结合质谱相似度和二进制代码,实现对 78 种食用花卉的快速智能鉴定。

ASAP-MS combined with mass spectrum similarity and binary code for rapid and intelligent authentication of 78 edible flowers.

机构信息

National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Haike Road #501, Shanghai 201203, China; Shanghai University of Traditional Chinese Medicine, Cailun Road 1200, Shanghai 201203, China.

National Engineering Research Center of TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Haike Road #501, Shanghai 201203, China.

出版信息

Food Chem. 2024 Mar 15;436:137776. doi: 10.1016/j.foodchem.2023.137776. Epub 2023 Oct 15.

Abstract

This is the first report to use Atmospheric Pressure Solids Analysis Probe (ASAP) for rapid and intelligent authentication of 78 edible flowers. Mass spectra of 451 batches were collected, with each run for 1-2 min. Experimental raw data was automatically extracted and aligned to create a MS database, based on which flowers were identified by MS similarity scores and rankings. To avoid background interference, top 25 ions of each flower were screened and gathered into an m/z pool containing 292 ions (+) and 399 ions (-). Binary sequence IDs were then generated by automatically assigning "1″ for presence and "0″ for absence, resulting in 78 binary codes. Binary code similarity with 78 IDs was used for authentication. Above two approaches were automatically performed by MATLAB, and compared to k-nearest neighbor model, and samples were all successfully identified (100 %). The proposed method provides a high-throughput authentication approach for large-scale food samples.

摘要

这是首次使用常压固体分析探头(ASAP)快速智能认证 78 种食用花卉。采集了 451 批的质谱,每批运行 1-2 分钟。实验原始数据被自动提取并对齐,以创建一个 MS 数据库,根据 MS 相似度得分和排名对花卉进行鉴定。为了避免背景干扰,筛选出每种花卉的前 25 个离子,并汇集到一个包含 292 个离子(+)和 399 个离子(-)的 m/z 池中。然后通过自动赋值“1”表示存在,“0”表示不存在,生成 78 个二进制代码。使用 78 个 ID 的二进制代码相似度进行鉴定。上述两种方法均由 MATLAB 自动执行,并与 k-最近邻模型进行比较,所有样本均成功识别(100%)。该方法为大规模食品样品提供了高通量的认证方法。

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