MassCube

masscube is an integrated Python package for liquid chromatography-mass spectrometry (LC-MS) data processing.

• Documentation: https://huaxuyu.github.io/masscubedocs/
• Source code: https://github.com/huaxuyu/masscube/
• Bug reports: https://github.com/huaxuyu/masscube/issues/

It provides:

• High performance feature detection based on signal clustering.
• Comprehensive feature quality evaluation.
• Confident annotation of isotopes, adducts, and in-source fragments.
• Ultra-fast annotation of MS/MS spectra.

Installation

pip install masscube

To upgrade masscube to the latest version:

pip install masscube --upgrade

Quick start

Start your untargeted metabolomics data processing from here

Contribute to masscube

The masscube project is excited to have your expertise and passion on board!

We value all enhancements or corrections. For those thinking about making significant contributions to the codebase, we encourage you to get in touch with us!

• Huaxu Yu, [email protected]