chem_props: A database containing the chemical properties and metadata of each RAMP_DB analyte
Source:R/Cleaned_Reference_Metabolite_Databases.R
chem_props.RdPruned from RaMP-DB 3.0.7. This object contains chemical
structures, monoisotopic masses, names, identifiers, and formulae. It can be
passed directly to BuildMZAnnotationIndex() or AnnotateMZ().
Format
A data frame with 289,754 rows and 11 variables:
- ramp_id
RaMP analyte ID (character)
- chem_data_source
Relative source database for the respective analyte (character)
- chem_source_id
Relative source database ID for analyste (character)
- iso_smiles
Smile structure for relative analyte (character)
- inchi_key_prefix
InChlKey prefix of Internation Chemical Identifier (InChl) (character)
- inchi_key
Full InChlKey for corresponding analyte (character)
- inchi
Full InChl identifier structure for analyte (character)
- mw
Molecular weight for analyte (double)
- monoisotop_mass
Relative monoisotopic mass for analyate (double)
- common_name
Analytes common name (character)
- mol_formula
Analytes simplified molecular fomula (character)