Hi, I was wondering if it is possible to perform Enrichment and Pathway Analysis using spectral bins instead of concentration table?
Data in spectral bins only work for statistical analysis?
Functional analysis for untargeted metabolomics requires first performing putative annotations that are reasonably accurate (say, 75% correct) to be practically useful. In order to do so,
- the input data should have good resolution;
- a good reference spectra library for annotation.
High-resolution LC-MS data is most suitable at the moment. Our recent benchmark study shows that ~30% annotation rate can achieve high recall (~90%) on pathway activity prediction. Other platforms are to be validated.