MetaDBparse (version 2.0.0)

searchMZonline: Find m/z matches with CMMR, ChemSpider or PubChem

Description

Wrapper function for all online searches.

Usage

searchMZonline(
  mz = 178.1219,
  mode = "positive",
  adducts,
  ppm = 2,
  which_db = "cmmr",
  apikey = ""
)

Arguments

mz

M/z of interest, Default: 178.1219

mode

Is m/z positive or negative mode?, Default: 'positive'

adducts

Which adducts will you consider (for cmmr only)

ppm

Allowed error margin in parts per million, Default: 2

which_db

Which online database do you want to search?, Default: 'cmmr'

apikey

ChemSpider API key. Only required if searching in ChemSpider.

Value

Table with match information

See Also

pbapply

Examples

# NOT RUN {
searchMZonline(mz = 170.09240307, mode = "positive", which_db = "cmmr")
# }