combineChains

It calculates combinations of chain fragments that sum up the same number of
carbons and double bounds as the precursor.

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

combineChains function

<dl><dt>candidates</dt>
<dd>candidates data frame. Output of findCandidates.</dd>
<dt>nchains</dt>
<dd>number of chains of the targeted lipid class.</dd>
<dt>sn1</dt>
<dd>list of chain fragments identified for sn1 position. Output of
chainFrags.</dd>
<dt>sn2</dt>
<dd>list of chain fragments identified for sn2 position. Output of
chainFrags. If required.</dd>
<dt>sn3</dt>
<dd>list of chain fragments identified for sn3 position. Output of
chainFrags. If required.</dd>
<dt>sn4</dt>
<dd>list of chain fragments identified for sn4 position. Output of
chainFrags. If required.</dd></dl>

Arguments

M Isabel Alcoriza-Balaguer &lt;maribel_alcoriza@iislafe.es&gt;

Author

Combine chain fragments that could belong to the same precursor. — combineChains

<dl>

<dt>candidates</dt>
<dd>candidates data frame. Output of findCandidates.</dd>


<dt>nchains</dt>
<dd>number of chains of the targeted lipid class.</dd>


<dt>sn1</dt>
<dd>list of chain fragments identified for sn1 position. Output of
chainFrags.</dd>


<dt>sn2</dt>
<dd>list of chain fragments identified for sn2 position. Output of
chainFrags. If required.</dd>


<dt>sn3</dt>
<dd>list of chain fragments identified for sn3 position. Output of
chainFrags. If required.</dd>


<dt>sn4</dt>
<dd>list of chain fragments identified for sn4 position. Output of
chainFrags. If required.</dd>

</dl>

combineChains: Combine chain fragments that could belong to the same precursor.

Description

Usage

Value

Arguments

Author