MatchedIonsFinder: A software tool for revising alignment matrices of spectrograms from liquid chromatography-mass spectrometry

Abstract

Several software programs that facilitate processing of data from multiple spectrograms obtained by liquid chromatography-mass spectrometry are available; these programs align features of the ions identified in separate samples into a matrix for further computational analysis. Generally, most alignments within a given matrix are correct, but some alignments seem incorrect, and incorrect alignments must be revised manually. Here, we developed a software tool, MatchedIonsFinder, that revises alignments using a defined algorithm. This program was used to revise an aligned matrix of tomato fruit metabolite ions produced by metabolome analysis software. The matrix revised using the program was comparable to the matrix that was revised manually.