ms_search_lipidmaps: Do a MS search on the LMSD database from LipidMaps

In ricoderks/Rcpm: General functions for the Center of Proteomics and Metabolomics (LUMC)

Do a MS search on the LMSD database from LipidMaps

Description

Search the LMSD database from LipidMaps (http://www.lipidmaps.org/).

Usage

ms_search_lipidmaps(
  ExactMass = NULL,
  ExactMassOffSet = 0.01,
  Name = NULL,
  Formula = NULL,
  CoreClass = NULL
)

Arguments

ExactMass	The exact mass to search.
ExactMassOffSet	The search window in dalton.
Name	Optional parameter to filter the search results. Name is search in any part of common name.
Formula	Optional parameter to filter the search results. Formula is search in any part of formula.
CoreClass	Optional parameter to filter the search results. At the moment there are 8 core classes defined (1-8). See detail section for more information.

Details

This function uses the Programmatic Access functionality of LipidMaps to search the LMSD database. There are 8 core classes defined :

1:

Fatty Acids [FA]

2:

Glycerolipids [GL]

3:

Glycerophospholipids [GP]

4:

Sphingolipids [SP]

5:

Sterol Lipids [ST]

6:

Prenol Lipids [PR]

7:

Saccharolipids [SL]

8:

Polyketides [PK]

Value

he function returns a dataframe with the search results. If there is a connection problem NULL is returned and a warning message showing the status code of the connection.

Author(s)

Rico Derks

Examples

results <- ms_search_lipidmaps(ExactMass = 537.37944, ExactMassOffSet = 0.01)

ricoderks/Rcpm documentation built on May 18, 2022, 7:49 a.m.