Comprehensive Method Development Search Capability
Many of the compounds are indexed by multiple names (Synonyms). All the compounds are indexed by elemental composition (Formula), nominal mass (MW), Chemical Abstracts Services registry number (CAS#), and a sequence number pertaining to their position in the NIST GC-RI Database (ID#). Estimated non-polar retention index (n-alkane series) values, based on structure, are also provided for each compound.
Data can be retrieved through an incremental name search, a CAS# search, a MW search, a formula search, or a structure search. In addition, the Database can be searched by multiple variables that can be used to constrain the above-mentioned searches. Searches can be:.
- Performed over a molecular weight (nominal mass) range
- Constrained to the elements present and/or the number of each element present
- Constrained for name fragments present in the main database name and in the synonym list
- Constrained by RI value range
Search results for individual hits can be constrained according to column type (packed or capillary), stationary-phase type (polar or non-polar), GC temperature conditions (isothermal or temperature programmed), and/or retention index type (Lee or Kovats).