ms2_plot_mass_dataset: Identify metabolites based on MS1 or MS/MS database for...

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

Identify metabolites based on MS1 or MS/MS database for single peak.

Description

Identify metabolites based on MS1 or MS/MS database.

Usage

ms2_plot_mass_dataset(
  object,
  variable_id,
  variable_index,
  polarity = c("positive", "negative"),
  ms1.match.ppm = 25,
  ms2.match.ppm = 30,
  mz.ppm.thr = 400,
  database,
  interactive_plot = FALSE
)

Arguments

object	A mass_dataset class obejct.
variable_id	variable_id
variable_index	variable_index
polarity	The polarity of data, "positive"or "negative".
ms1.match.ppm	Precursor match ppm tolerance.
ms2.match.ppm	Fragment ion match ppm tolerance.
mz.ppm.thr	Accurate mass tolerance for m/z error calculation.
database	MS2 database name or MS database.
interactive_plot	interactive_plot

Value

A list of ggplot2 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 Sept. 4, 2023, 2:01 a.m.