getFormula

Get formula and neutral mass for annotated compounds.

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

getFormula function

<dl><dt>df</dt>
<dd>data frame with the input results</dd>
<dt>dbs</dt>
<dd>list of data bases required for annotation. By default, dbs
contains the required data frames based on the default fragmentation rules.
If these rules are modified, dbs may need to be supplied. See createLipidDB
and assignDB.</dd></dl>

Arguments

M Isabel Alcoriza-Balaguer &lt;maialba@alumni.uv.es&gt;

Author

Get formula and neutral mass for annotated compounds — getFormula

<dl>

<dt>df</dt>
<dd>data frame with the input results</dd>


<dt>dbs</dt>
<dd>list of data bases required for annotation. By default, dbs
contains the required data frames based on the default fragmentation rules.
If these rules are modified, dbs may need to be supplied. See createLipidDB
and assignDB.</dd>

</dl>

getFormula: Get formula and neutral mass for annotated compounds

Description

Usage

Value

Arguments

Author