Pattern Recognition Analysis of Metabolites in Escherichia coli Based on ESI‐Orbitrap Mass Spectrometry

Abstract

AbstractTo achieve rapid detection of carbapenem‐resistant Escherichia coli strains, a pattern recognition method based on electrospray ionization Orbitrap mass spectrometry (ESI‐Orbitrap MS) was used for the analysis of drug‐resistant, and sensitive strains of metabolites were analyzed. Results of five clustering methods applied to analytical data of metabolites were evaluated using iso‐phenotypic coefficients. The effectiveness of three methods, principal component analysis (PCA), partial least squares discriminant analysis (PLS‐DA) and orthogonal partial least squares discriminant analysis (OPLS‐DA), was compared. Univariate statistics such as t‐test and fold change were also used to examine the screened differential information. Both PLS‐DA and OPLS‐DA could achieve rapid identification of strain classes, and OPLS‐DA was more powerful in screening 96 significantly different ions. This work is expected to be useful for rapid and accurate identification of strains.