what {MSbox}

search for m/z in from the idiom metabolomics database

Description

tentative metabolite identification based on m/z value search

Usage

what(myMZ, mode = NULL, ppm = 5, useDB = "HMDB")

Arguments

myMZ

m/z values

mode

ionization mode, either positive '+' or negative '-'

ppm

mass tolerance, default value = 10

useDB

which database to use, HMDB or KEGG? default is HMDB

Author(s)

Yonghui Dong

Examples

a = what(133.014, mode = '-', ppm = 10)