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
Feb 29, 2024