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Analysis of coffee seed vigor by extractive electrospray ionization mass spectrometry
Analytical Methods ( IF 2.7 ) Pub Date : 2018-01-15 00:00:00 , DOI: 10.1039/c7ay02403g
Yalian Zhou 1, 2, 3, 4 , Meng Cui 1, 2, 3, 4 , Qin Yin 1, 2, 3, 4 , Min Deng 1, 2, 3, 4 , Yingbin Hao 1, 2, 3, 4 , Xueyong Huang 1, 2, 3, 4 , Liping Luo 1, 2, 3, 4, 5
Affiliation  

Water extracts of coffee seeds of various ages were analyzed in positive ion mode by extractive electrospray ionization mass spectrometry (EESI-MS) without any sample pretreatment, and the typical metabolites were identified by tandem mass spectrometry. Further assessment using principal component analysis (PCA), cluster analysis (CA), and discriminant analysis (DA) demonstrated that a combination of EESI-MS and multivariate analysis could effectively distinguish coffee seeds with different vigor. In PCA, the first three principal components explained 99.3% of the total variation, and coffee seeds with the same vigor were clustered closely together in CA with an accuracy of 100%. In DA, both the accuracy rate of discrimination of the training samples and the success rate of cross validation analysis were 100%. We concluded that coffee seeds with diverse vigor could be differentiated by EESI-MS coupled with multivariate analysis, providing a novel, sensitive, and rapid measurement of seed vigor in coffee.

中文翻译:

萃取电喷雾电离质谱法分析咖啡种子活力

在没有任何样品预处理的情况下,通过萃取电喷雾电离质谱法(EESI-MS)以正离子模式分析了不同年龄的咖啡种子的水提取物,并通过串联质谱法鉴定了典型的代谢物。使用主成分分析(PCA),聚类分析(CA)和判别分析(DA)进行的进一步评估表明,结合使用EESI-MS和多变量分析可以有效地区分不同活力的咖啡种子。在PCA中,前三个主要成分解释了总变异的99.3%,并且具有相同活力的咖啡种子在CA中紧密聚集在一起,准确度为100%。在DA中,训练样本的判别准确率和交叉验证分析的成功率均为100%。
更新日期:2018-01-15
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