Description Usage Arguments Value Author(s)
This function takes in an m/z value and will return all possible isobaric compounds based on the supplied compound data frame supplied in this package.
1 | isobar(MZ = 18.0106, ppm = 5, pol = "positive")
|
MZ |
The m/z value to be searched |
ppm |
The m/z deviation allowed to search the compound library |
pol |
The polarity of the ion to be searched |
a data frame of all potential isomers of that particular chemical formula
Daniel Braas
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