msfinder¶
Description¶
Universal program for compound ‘annotation’ that supports EI-MS (GC/MS) and MS/MS spectral mining.
Environment Modules¶
Run module spider msfinder to find out what environment modules are available for this application.
Environment Variables¶
- HPC_MSFINDER_DIR - installation directory
Citation¶
If you publish research that uses msfinder you have to cite it as follows:
Tsugawa, H., Kind, T., Nakabayashi, R., Yukihira, D., Tanaka, W., Cajka, T., Saito, K., Fiehn, O., & Arita, M. (2016). Hydrogen rearrangement rules: Computational MS/MS fragmentation and structure elucidation using MS-FINDER software. Analytical Chemistry, 88(14), 7946–7958. https://doi.org/10.1021/acs.analchem.6b00770
Tsugawa, H., Cajka, T., Kind, T., Ma, Y., Higgins, B., Ikeda, K., Kanazawa, M., VanderGheynst, J., Fiehn, O., & Arita, M. (2018). Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics. Nature Methods, 15(1), 53–56. https://doi.org/10.1038/nmeth.4512
Categories¶
biology, metabolomics