getFormula | R Documentation |
Get formula and neutral mass for annotated compounds.
getFormula(df, dbs)
df |
data frame with the input results |
dbs |
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. |
Data frame
M Isabel Alcoriza-Balaguer <maialba@alumni.uv.es>
M Isabel Alcoriza-Balaguer (2021). LipidMS: Lipid Annotation for LC-MS/MS DDA or DIA Data. R package version 3.0.1. <https://CRAN.R-project.org/package=LipidMS>
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