R/adducts_translations.R

In taxonomicallyinformedannotation/tima-r: Taxonomically Informed Metabolite Annotation

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
    "+CH3COO" = "+C2H3O2",
    # GNPS
    "+FA" = "+CHO2",
    # mzmine
    "+HAc" = "+C2H4O2",
    # mzmine
    "+Hac" = "+C2H4O2",
    # GNPS
    "+HFA" = "+CH2O2",
    # mzmine
    "+IsoProp" = "+C3H8O",
    # mzmine
    "+MeOH" = "+CH4O",
    # mzmine
    "+NH4" = "+H4N",
    # mzmine
    "+TFA" = "+C2HF3O2",
    # MassBank
    "[M+CH3COO]-/[M-CH3]-" = "[M+CH3COO]-"
    # weird MassBank
  )