what | R Documentation |
tentative metabolite identification based on m/z value search
what(myMZ, mode = NULL, ppm = 5, useDB = "HMDB")
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 |
Yonghui Dong
a = what(133.014, mode = '-', ppm = 10)
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