Putatively annotated compounds (e.g. without chemical reference standards based upon physicochemical properties and/or spectral similarity with public/commercial spectral libraries)
3
Putatively characterized compound classes
Putatively characterized compound classes (e.g. based upon characteristic physicochemical properties of a chemical class of compounds or by spectral similarity to known compounds of a chemical class)
4
Unknown compounds
Unknown compounds-although unidentified or unclassified these metabolites can still be differentiated and quantified based upon spectral data
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