Identify metabolites based on MS1 or MS/MS database for single peak. — ms2_plot_mass_dataset • metid

Identify metabolites based on MS1 or MS/MS database.

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.

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