Adding fluorine

taxonomicallyinformedannotation · Aug 15, 2023 · 091400b · 091400b
1 parent c4da046
commit 091400b
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/R/create_adducts_neg.R b/R/create_adducts_neg.R
@@ -4,6 +4,7 @@ utils::globalVariables(
     "bromine",
     "chlorine",
     "exact_mass",
+    "fluorine",
     "formic",
     "name",
     "potassium",
@@ -39,6 +40,7 @@ create_adducts_neg <- function(masses_table = get("masses_table",
       `[1M-(H)3]3-` = (exact_mass - 3 * proton) / 3,
       `[1M-(H)2]2-` = ((exact_mass - 2 * proton) / 2),
       `[1M-(H)1]1-` = exact_mass - proton,
+      `[1M+(F)1]1-` = exact_mass + fluorine,
       `[1M+(Na)1-(H)2]1-` = exact_mass + sodium - 2 * proton,
       `[1M+(Cl)1]1-` = exact_mass + chlorine,
       `[1M+(K)1-(H)2]1-` = exact_mass + potassium - 2 * proton,