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deconjugatoR

Respository for in-silico deconjugation of spectra

please cite:

Huber, C., Krauss, M., Reinstadler, V. et al. In silico deconjugation of glucuronide conjugates enhances tandem mass spectra library annotation of human samples. Anal Bioanal Chem (2022). https://doi.org/10.1007/s00216-022-03899-7