## ----style, echo = FALSE, results = 'asis'------------------------------------ BiocStyle::markdown() ## ---- message = FALSE--------------------------------------------------------- library("MetaboCoreUtils") ls(pos = "package:MetaboCoreUtils") ## ----------------------------------------------------------------------------- library(MetaboCoreUtils) ## ----------------------------------------------------------------------------- adductNames() ## ----------------------------------------------------------------------------- masses <- c(123, 842, 324) mass2mz(masses, adduct = c("[M+H]+", "[M+Na]+")) ## ----------------------------------------------------------------------------- frml <- "Na3C4" frml <- standardizeFormula(frml) frml ## ----------------------------------------------------------------------------- frml <- addElements(frml, "H2O") frml ## ----------------------------------------------------------------------------- frml <- subtractElements(frml, "H") frml ## ----------------------------------------------------------------------------- countElements(frml) ## ----sessioninfo, echo=FALSE-------------------------------------------------- sessionInfo()