Get annotation tables — get_annotation

Function to annotate features using MS1 and MS2 information

Usage

get_annotation_tables(
  feature_table,
  feature_spectra,
  selected_dbs = c("massbank", "mona", "hmdb_exp", "hmdb_pred", "gnps"),
  adducts = c("[M+H]+"),
  tolerance = 0.005,
  ppm = 5,
  req_precursor = TRUE,
  distance_thres = 0.5,
  candidates = 1
)

Arguments

feature_table: Table with features mz and rt values
feature_spectra: Features spectra
selected_dbs: Vector with names of the databases to be used
adducts: Vector with the adducts to be used for MS1 annotation
tolerance: Allowed differences in m/z
ppm: Allowed differences in ppm
req_precursor: Check precursor for MS2 annotation
distance_thres: Distance threshold for annotation
candidates: How many annotations to keep for each feature

Value

List with annotations from each of the databases