compInfo {erah}

Information of a Compound

Description

Displays basic information of a compound in the MS library.

Usage

compInfo(comp.id, id.database = mslib)

Arguments

comp.id

The DB.Id number of the compound.

id.database

The mass-spectra library to be compared with the empirical spectra. By default, the MassBank - Mass Bank of North America (MoNa) database are employed (mslib object).

Details

Returns details on a given compound such as the synonyms, CAS, KEGG, retention index, among others.

See Also

findComp

Examples

# finding proline
findComp("proline")

# we see that proline 2TMS has the DB.Id number 42, then:
compInfo(42)