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One major application of modern spectroscopic and spectrometric techniques is to measure hundreds to thousands of molecules in biological specimens as part of a process of metabolic phenotyping. Statistical spectroscopy covers a range of techniques used for the recovery of correlated intensity patterns within and between molecules. This plays an essential role in the annotation of molecular features of potential biological or diagnostic significance. The article introduces a variety of univariate and multivariate statistical tools for molecular covariance spectroscopy.

Ambient ionization mass spectrometry was developed as a sample preparation-free alternative to traditional MS-based workflows. Desorption electrospray ionization (DESI)-MS methods were demonstrated to allow the direct analysis of a broad range of samples including unaltered biological tissue specimens. In contrast to this advantageous feature, nowadays DESI-MS is almost exclusively used for sample preparation intensive mass spectrometric imaging (MSI) in the area of cancer research. As an alternative to MALDI, DESI-MSI offers matrix deposition-free experiment with improved signal in the lower (