dbsAdducts

Create tables containing the m/z of lipids along with their preferred adducts
for each polarity

internal

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

dbsAdducts function

<dl><dt>file</dt>
<dd>path csv with classes to predict</dd>
<dt>sep</dt>
<dd>Character. Field separator used when reading the CSV file.</dd>
<dt>sep_adducts</dt>
<dd>Character. Separator used to split multiple adducts within
the "Adducts" column of the file.</dd>
<dt>polarity</dt>
<dd>character value: 'negative', 'positive'.</dd>
<dt>classes</dt>
<dd>A vector containing the lipid classes for which retention time
is to be predicted. If classes = NULL, predictions will be made for all classes
where there are candidates and data to create a model.</dd></dl>

Arguments

Celia Regal Marques &lt;celia_regal@iislafe.es&gt;

Author

Create tables containing the m/z of lipids along with their preferred adducts — dbsAdducts

<dl>

<dt>file</dt>
<dd>path csv with classes to predict</dd>


<dt>sep</dt>
<dd>Character. Field separator used when reading the CSV file.</dd>


<dt>sep_adducts</dt>
<dd>Character. Separator used to split multiple adducts within
the "Adducts" column of the file.</dd>


<dt>polarity</dt>
<dd>character value: 'negative', 'positive'.</dd>


<dt>classes</dt>
<dd>A vector containing the lipid classes for which retention time
is to be predicted. If classes = NULL, predictions will be made for all classes
where there are candidates and data to create a model.</dd>

</dl>

dbsAdducts: Create tables containing the m/z of lipids along with their preferred adducts

Description

Usage

Value

Arguments

Author