MSMetaEnhancer is a tool used for .msp files annotation. It adds metadata like SMILES, InChI, and CAS number fetched from the following services: CIR, CTS, PubChem, IDSM, and BridgeDb. |
hg clone https://toolshed.g2.bx.psu.edu/repos/recetox/msmetaenhancer
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
annotate MS data | 0.4.0+galaxy1 | 21.09 |