Chemometrics-Based TLC and GC-MS for Small Molecule Analysis: A Practical Guide

Abstract

Nowadays, thin-layer chromatography (TLC) and gas chromatography/mass spectrom- etry (GC-MS) instruments can produce more data than even before. At this point, the use of mathematical and statistical tools has provided the key to resolve the information overload. In this chapter, a practical guide is provided for the TLC and GC-MS analysis of short-chain fatty acids (SCFAs), amino acids, and monosaccharides. A methodology for extracting and transforming the chromatographic data to a suitable format for chemometrics is described. Furthermore, a procedure for chemometric analysis based on principal components analysis and clustering analysis is suggested.