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

In MetaDBparse: Annotate Mass over Charge Values with Databases and Formula Prediction

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")

MetaDBparse documentation built on May 3, 2021, 5:09 p.m.