This function uses annotation results of an unlabelled sample to search for labelled compounds in a labelled sample.
searchIsotopes(results, MS1, label, adductsTable = LipidMS::adductsTable,
rttol = 10, ppm = 10)annotation results for an unlabelled sample. Output of identification functions (i.e. idPOS$results).
Data frame with at least three columns: m.z, RT, int. Peak list for the labelled sample. Output of dataProcessing function (MS$peaklist).
isotope employed for the experiment. It can be "13C" or "D".
adducts table employed for lipids annotation.
rt window in seconds.
mass error tolerance.
List with the isotopes for each compound in the results data frame.