mzIdentify: Identify peaks based on MS1 database

In tidymass/metid: Metabolite identification based on MS1 and MS2 spectra

Identify peaks based on MS1 database

Description

Identify peaks based on MS1 database.

Usage

mzIdentify(
  ms1.data,
  ms1.match.ppm = 25,
  rt.match.tol = 30,
  polarity = c("positive", "negative"),
  column = c("hilic", "rp"),
  path = ".",
  candidate.num = 3,
  database,
  threads = 3,
  silence.deprecated = FALSE
)

Arguments

ms1.data	The name of ms1 peak table (csv format). Column 1 is "name", column 2 is "mz" and column 3 is "rt" (retention time, second).
ms1.match.ppm	Precursor match ppm tolerance.
rt.match.tol	RT match tolerance.
polarity	The polarity of data, "positive"or "negative".
column	"hilic" (HILIC column) or "rp" (reverse phase).
path	Work directory.
candidate.num	The number of candidates.
database	MS1 database name or MS1 database.
threads	Number of threads
silence.deprecated	Silenc the deprecated information or not.

Value

A mzIdentifyClass or metIdentifyClass object.

Author(s)

Xiaotao Shen [e-mail]

See Also

The example and demo data of this function can be found https://tidymass.github.io/metid/articles/metid.html

tidymass/metid documentation built on Oct. 8, 2024, 10:32 p.m.