Part of the W4M project (http://workflow4metabolomics.org). Annotate LCMS spectrum using an in-house spectra database, provided as a TSV file. Two algorithms are proposed, a simple matching on MZ and RT values, and a more complex one that makes sure for each candidate that its precursor peak is matched. |
hg clone https://toolshed.g2.bx.psu.edu/repos/prog/lcmsmatching
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
Annotation of MS peaks using matching on a spectra database. | 3.3.1 | any |