compInfo: Information of a Compound

Description Usage Arguments Details See Also Examples

View source: R/DB.R

Description

Displays basic information of a compound in the MS library.

Usage

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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

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# finding proline
findComp("proline")

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

erah documentation built on May 11, 2021, 9:11 a.m.