diff --git a/R/annotate_masses.R b/R/annotate_masses.R index db5dbc3e7..90cc216a0 100644 --- a/R/annotate_masses.R +++ b/R/annotate_masses.R @@ -132,13 +132,18 @@ annotate_masses <- # TODO this should be externalized adducts_translations <- c( + "-2H" = "-H2", # cliqueMS + "-3H" = "-H3", # cliqueMS "-2H2O" = "-H4O2 (2xH2O)", # mzmine "-3H2O" = "-H6O3 (3xH2O)", # mzmine "-4H2O" = "-H8O4 (4xH2O)", # mzmine "-5H2O" = "-H10O5 (5xH2O)", # mzmine "-NH3" = "+H3N", # mzmine "+2H" = "+H2", # mzmine + "+2K" = "+K2", # cliqueMS "+2Na" = "+Na2", # mzmine + "+3K" = "+K3", # cliqueMS + "+3Na" = "+Na3", # cliqueMS "+Acetate" = "C2H3O2", # mzmine "+ACN" = "+C2H3N", # mzmine "+FA" = "CHO2", # mzmine