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Welcome to the mzxml-glucosinolate-analyser wiki!

use Genouest

notes

conversion mzXML -< mzML

docker run -it --rm -v $(pwd)/src/test/resources:/data chambm/pwiz-skyline-i-agree-to-the-vendor-licenses wine msconvert --mzML /data/20181018-037.mzXML 

isotope patterns

methods

How to calculate isotope patterns in mass spectra

https://www.youtube.com/watch?v=qPy4IeSJVjM

https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl

Tools

Dinosaur

Feature finding algorithm for detection of isotope patterns in HPLC mass spectrometry data. https://github.com/fickludd/dinosaur