badb

In silico generated database for common bile acids.

datasets

Lipid annotation in untargeted LC-MS lipidomics based on fragmentation rules. Alcoriza-Balaguer MI, Garcia-Canaveras JC, Lopez A, Conde I, Juan O, Carretero J, Lahoz A (2019) <doi:10.1021/acs.analchem.8b03409>.

M Alcoriza-Balaguer

LipidMS

Lipid Annotation for LC-MS/MS DDA or DIA Data

M Isabel Alcoriza-Balaguer

Celia Regal-Marques

badb function

Data frame with 9 observations and the following 5 variables.<dl>
 <dt><code>formula</code></dt>
<dd>character vector with the molecular formulas.</dd> <dt><code>total</code></dt>
<dd>character vector containing the names of the BAs (i.e.
 CA, TDCA, GLCA...).</dd> <dt><code>Mass</code></dt>
<dd>numeric vector with the neutral masses.</dd> <dt><code>conjugate</code></dt>
<dd>character vector containing the conjugate of each BA.</dd> <dt><code>base</code></dt>
<dd>character vector containing the core of each BA.</dd> 
</dl>

Format

Bile acids database — badb

Data frame with 9 observations and the following 5 variables.<dl>
 <dt><code>formula</code></dt>
<dd>character vector with the molecular formulas.</dd>

 <dt><code>total</code></dt>
<dd>character vector containing the names of the BAs (i.e.
 CA, TDCA, GLCA...).</dd>

 <dt><code>Mass</code></dt>
<dd>numeric vector with the neutral masses.</dd>

 <dt><code>conjugate</code></dt>
<dd>character vector containing the conjugate of each BA.</dd>

 <dt><code>base</code></dt>
<dd>character vector containing the core of each BA.</dd>

 
</dl>

badb: Bile acids database

Description

Usage

Arguments

Format