| getms1anno {enviGCMS} | R Documentation |
Annotation of MS1 data by compounds database by predefined paired mass distance
Description
Annotation of MS1 data by compounds database by predefined paired mass distance
Usage
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
[Package enviGCMS version 0.7.1 Index]