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A small table of legacy adduct definitions retained for compatibility with earlier SpaMTP workflows. New annotation code should use AdductRules(), which includes charge, stoichiometry, ion-mode, and chemical-validity fields.

Usage

adduct_file

Format

A data frame with 47 rows and 6 variables:

adduct_name

Adduct notation.

ion.mass

Legacy ion-mass expression.

charge

Ion charge.

mult

Analyte stoichiometric multiplier.

add_mass

Exact mass shift.

pol

Ion polarity.

Value

A data frame of legacy adduct definitions.