This function uses annotation results of deisotoped data to search for isotopes in raw data.
searchIsotopes(
msobject,
label,
adductsTable = LipidMS::adductsTable,
ppm = 10,
coelCutoff = 0.7,
results,
dbs
)List with the isotopes for each compound in the results data frame.
msobject.
isotope employed for the experiment. It can be "13C" or "D".
adducts table employed for lipids annotation.
mass error tolerance.
coelution score threshold between isotopes. By default, 0.7.
target list to search isotopes. If missing, all results from the msobject are searched. It is used by searchIsotopesmsbatch.
list of data bases required for annotation. By default, dbs contains the required data frames based on the default fragmentation rules. If these rules are modified, dbs may need to be supplied. See createLipidDB and assignDB.
M Isabel Alcoriza-Balaguer <maribel_alcoriza@iislafe.es>