Return the validated SpaMTP adduct rule table

The rules use neutral monoisotopic mass and explicit ion masses. Each row stores the molecular multiplier, total numerator mass shift, charge, number of protons removed from the analyte, and the charge contributed by added species. This allows rules to be checked before candidate generation.

Usage

AdductRules(
  polarity = c("both", "positive", "negative", "neutral"),
  include_complex = TRUE
)

Arguments

polarity

One of "both", "positive", "negative", or "neutral".

include_complex

Include multimers, solvent clusters, metal-exchange, and multiply charged ions.

Value

A data frame containing validated adduct rules.