Identify metabolites using multiple databases one time

Identify metabolites using multiple databases one time.

identify_metabolite_all(ms1.data, ms2.data, parameter.list, path = ".")

Arguments

ms1.data

The name of ms1 peak table (csv format). Column 1 is "name", column 2 is "mz" and column 3 is "rt" (second).

ms2.data

MS2 data, must be mgf, msp or mzXML format. For example, ms2.data = c("test.mgf", "test2.msp").

parameter.list

A list contains paramters for each processing. The parameter must get using metIdentifyParam or mzIdentifyParam.

path

Work directory.

Value

A list containing mzIdentifyClass object.

See also

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

Author

Xiaotao Shen xiaotao.shen@outlook.com