isotopic-patterns

There are 2 repositories under isotopic-patterns topic.

  • jmwoll/isocalc

    Python isotopic pattern calculator library

    Language:Python5100

  • scannotation/Scannotation_software

    Scannotation is an automated and user-friendly suspect screening tool for the rapid pre-annotation of LC-HRMS datasets. This software combines several MS1 chemical predictors: m/z, retention times, isotopic patterns and neutral loss patterns, to score the proximity between features and suspects, thus efficiently prioritizing compounds of interest.

    3111