Python isotopic pattern calculator library
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Updated
Feb 17, 2018 - Python
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isotopic-patterns
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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.
annotations scoring software user-friendly hrms isotopic-patterns exposome compound-identification metabolite suspect-screening retention-times neutral-loss non-targeted-analysis
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Updated
Jun 5, 2024
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