searchIsotopes {LipidMS} | R Documentation |
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 )
results |
annotation results for an unlabelled sample. Output of identification functions (i.e. idPOS$results). |
MS1 |
Data frame with at least three columns: m.z, RT, int. Peak list for the labelled sample. Output of dataProcessing function (MS$peaklist). |
label |
isotope employed for the experiment. It can be "13C" or "D". |
adductsTable |
adducts table employed for lipids annotation. |
rttol |
rt window in seconds. |
ppm |
mass error tolerance. |
List with the isotopes for each compound in the results data frame.
M Isabel Alcoriza-Balaguer <maialba@alumni.uv.es>