extractLOBdbasedata: Extract compound data from a LOBdbase

In hholm/LOBSTAHS: Lipid and Oxylipin Biomarker Screening through Adduct Hierarchy Sequences

Extract compound data from a LOBdbase

Description

Extracts data from a LOBSTAHS LOBdbase-class object for a given molecular species.

Usage

extractLOBdbasedata(frag_ID, database)

Arguments

frag_ID	The LOBdbase fragment ID(s) corresponding to the species for which data should be extracted.
database	The LOBdbase from which data are to be extracted.

Value

A data frame containing the extracted data, with field names corresponding to the slots in database.

Author(s)

James Collins, [e-mail]

References

Collins, J.R., B.R. Edwards, H.F. Fredricks, and B.A.S. Van Mooy. 2016. LOBSTAHS: An adduct-based lipidomics strategy for discovery and identification of oxidative stress biomarkers. Analytical Chemistry 88:7154-7162

See Also

LOBdbase, LOBdbase loadLOBdbase, generateLOBdbase, default.LOBdbase

Examples

## extract data from the default database for the [M+H]+ adduct of
## dinitrophenyl-phosphatidylethanolamine (DNPPE), a synthetic lipid used as an
## internal standard

data(default.LOBdbase)

DNPPE.data = extractLOBdbasedata(frag_ID = 19801,
                                 database = default.LOBdbase$positive)

hholm/LOBSTAHS documentation built on March 17, 2024, 1:53 a.m.