get_msready_by_formula {ctxR}

Get msready by formula

Description

Get msready by formula

Usage

get_msready_by_formula(
  formula = NULL,
  API_key = NULL,
  Server = chemical_api_server,
  verbose = FALSE
)

Arguments

formula

A string denoting the input chemical formula

API_key

The user-specific API key

Server

The root address for the API endpoint

verbose

A logical indicating if some “progress report” should be given.

Value

A character list of DTXSIDs with chemical formulas matching the search criteria

Examples

# Pull chemicals that match input formula
mass_formula <- get_msready_by_formula(formula = 'C16H24N2O5S')