Annotation of MS1 data by compounds database by predefined paired mass distance

Annotation of MS1 data by compounds database by predefined paired mass distance

getms1anno(pmd, mz, ppm = 10, db = NULL)

Arguments

pmd

adducts formula or paired mass distance for ions

mz

unknown mass to charge ratios vector

ppm

mass accuracy

db

compounds database as dataframe. Two required columns are name and monoisotopic molecular weight with column names of name and mass

Value

list or data frame