getMS2spectrum: Get MS2 spectra of peaks from databaseClass object

In jaspershen/metID: Metabolite identification based on MS1 and MS2 spectra

Get MS2 spectra of peaks from databaseClass object

Description

Get MS2 spectra of peaks from databaseClass object.

Usage

getMS2spectrum(
  lab.id,
  database,
  polarity = c("positive", "negative"),
  ce = "30"
)

Arguments

lab.id	The lab ID of metabolite.
database	Database (databaseClass object).
polarity	positive or negative.
ce	Collision value.

Value

A MS2 spectrum (data.frame).

Author(s)

Xiaotao Shen [e-mail]

See Also

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

jaspershen/metID documentation built on July 31, 2022, 11:31 p.m.