get_annotation_tables: Get annotation tables

In Coayala/MetaboTandem: Analysis and Visualization of LC-MS/MS Data

Get annotation tables

Description

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

Coayala/MetaboTandem documentation built on June 9, 2025, 9:02 p.m.