Get MSMICA adduct presets — msmica

Returns beginner-friendly adduct presets for common LC-MS ion mode and sample-type combinations. The returned vector can be passed directly to the All_Adduct argument of MSMICA_algorithm().

Usage

msmica_adducts(
  mode = c("positive", "negative"),
  sample_type = c("fluid", "tissue")
)

Arguments

mode: Character. Ionization mode, either "positive" or "negative".
sample_type: Character. Sample type preset, either "fluid" or "tissue".

Value

A character vector of adduct names.

Examples

msmica_adducts(mode = "positive", sample_type = "fluid")
#>  [1] "M+H"      "M+Na"     "M+2Na-H"  "M+H-H2O"  "M+H-NH3"  "M+ACN+H" 
#>  [7] "M+ACN+2H" "2M+H"     "M+2H"     "M+H-2H2O"
msmica_adducts(mode = "negative", sample_type = "tissue")
#> [1] "M-H"       "M+Cl"      "M+FA-H"    "M+Hac-H"   "M-H+HCOOK" "M-2H"     
#> [7] "2M-H"      "M+ACN-H"   "M+K-2H"