Construct public MS2 database from MoNA with msp format.

Source: R/construct_mona_database.R

Construct MS2 spectra database according to mzXML data and compound information table (csv format).

construct_mona_database(
  file,
  only.remain.ms2 = TRUE,
  path = ".",
  version = "0.0.1",
  source = "MoNA",
  link = "https://mona.fiehnlab.ucdavis.edu/",
  creater = "Xiaotao Shen",
  email = "shenxt1990@163.com",
  rt = FALSE,
  threads = 5
)

Arguments

file

The file name of MassBank or MoNA database (mgf format).

only.remain.ms2

Only remain the metabolites with MS2 spectra?

path

Work directory.

version

The version of you database. Default is 0.0.1.

source

The source of your database.

link

Website link of the source.

creater

Creater name. For example, Xiaotao Shen.

email

email address.

rt

Do the metabolites have RT information or not?. If not, set it as FALSE.

threads

The number of threads

Value

A databaseClass object.

See also

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

Author

Xiaotao Shen shenxt1990@163.com