This function uses annotation results of an unlabelled sample to search for labelled compounds in a labelled sample.
searchIsotopes(
msobject,
label,
adductsTable = LipidMS::adductsTable,
rttol = 10,
ppm = 10,
coelCutoff = 0.8
)a msobject generated by any of the identification functions.
isotope employed for the experiment. It can be "13C" or "D".
adducts table employed for lipids annotation.
rt window in seconds.
mass error tolerance.
coelution score threshold between isotopes. By default, 0.8.
List with the isotopes for each compound in the results data frame.