Mid-infrared spectra of aqueous extracts, mycotoxin, and other fungal metabolite data from Austrian and French wheat

This dataset includes metadata (country, year), attenuated total reflection mid-infrared (MIR) spectra of aqueous extracts, and quantitative data on secondary fungal metabolites obtained by liquid chromatography-tandem mass spectrometry (LC-MS/MS). The first columns of the XLSX file contain the metadata, followed by the MIR spectra, with the first row indicating the wavenumber. After the MIR spectra, the subsequent columns contain quantitative values of secondary fungal metabolites, with the first row specifying the substance names. Spectral outliers are also highlighted in the file.

Results obtained using this data set can be found here: https://doi.org/10.26434/chemrxiv-2024-8s4w3