compound-identification

There are 0 repository under compound-identification topic.

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.
annotations user-friendly suspect-screening hrms retention-times isotopic-patterns software scoring neutral-loss metabolite compound-identification exposome non-targeted-analysis
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RicardoMBorges / MFQL-for-Dereplication-of-Natural-Products-Using-LipidPlorer
MFQL files for Natural Products Dereplication
natural-products compound-identification metabolomics lc-msms derplication
Language:Perl 1

scannotation / Scannotation_software