Identify peaks based on MS1 database

Identify peaks based on MS1 database.

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.

See also

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

Author

Xiaotao Shen shenxt1990@outlook.com