| Create MSP files containing the isotopic patterns for given molecules with given adducts. The tool is based on enviPat and the RforMassSpectrometry toolbox. |
hg clone https://toolshed.g2.bx.psu.edu/repos/recetox/isolib
| Name | Description | Version | Minimum Galaxy Version |
|---|---|---|---|
| create an isotopic pattern library for given compounds and adducts | 1.0.1+galaxy0 | 21.09 | |