|NISTGC 2011||NISTGC 2008|
|# of index values||346,757||224,038|
|# of compounds (*)||70,838||44,008|
|# of references cited||5,368||4,632|
(*) Each with name, synonyms, chemical formal, chemical structure diagram, number (e.g. CAS).
The NIST Retention Index Database provides retention index data and gas chromatographic conditions for 70,838 compounds on polar and non-polar stationary phase used with packed and open tubular columns.
The Database contains a total of 346,757 citations (retention index values and GC methods). Each citation contains the complete bibliographical information and title of the research paper it was taken from. Details of the gas chromatographic method used to obtain the retention index are also provided. If a compound is in the NIST/EPA/NIH Mass Spectral Database (NIST11), it is so noted in the text information provided about the compound. There are 38,648 such compounds.
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 corresponding to their position in the NIST Retention Index Database (ID#).
In addition, estimated non-polar retention index (n-alkane series) values, based on structure, are provided for each compound.
A search program (nistmsri.exe) is included for browsing, searching, and viewing the database (screenshots below).
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. A search can be performed over a molecular weight (nominal mass) range. A search can be constrained to the elements present and/or the number of each element present. Searches can be constrained for name fragments present in the main database name and in the synonym list.
The search results for individual hits can also 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).
The program has three tab-activated windows, each window having its own specific functions: Names Window (where searches by compound name (main database name) or synonym are carried out); Other Search Window (which is used for Formula, CAS#, MW, or the Sequential Method searches); and the Structure Search Window (where a list of compounds is produced that have a similar structure to a submitted structure).
The general features of all windows are described in more detail in the program help file.
The following screenshots illustrate basic usage of the search program. The program contains three tabs at the bottom for selecting different modes of searching and browsing. Each tab has multiple panels to display data.
The NIST GC Database was developed by the same people at the National Instruments of Standards and Technology (NIST) who brought you the NIST 08 (NIST/EPA/EPH) Mass Spectral Library. Most index values were abstracted from the open literature and then compared to replicate values (average of 10 per compound) and estimates to find and remove errors.
The NIST GC Retention Index Search Program is compatible with Windows XP SP2, Vista, and 7.
Which GC datasystem you have does not matter. Unlike the full NIST 08 database, the NIST GC library software does not need to interface to GC data systems (e.g. ChemStation, Xcalibur, Saturn, etc.).
The database and software use 270 MB of disk space.
There is no demo of the NIST GC library itself. However, you may instead try out the demo of the full NIST MS (plus GC) library. The NIST GC library is a subset of the database and search software in the full NIST MS library--it contains only the GC parts as shown in the above screenshots and only contains compounds with GC retention indices. Furthermore, the demo version contains a much smaller database than the full version. Therefore, the demo is only intended to provide a general idea of the user interface and operation.
|741010GC||NIST GC DATABASE 2011||EA||0||0[*L]Standard lead-time for out-of-stock items is approximately two weeks depending on the item.||$380.00[*B][*B] 3 or more: 5% off; 10 or more: 7% off.|
Bulk quantity discounts on marked items:
[*B] 3 or more: 5% off; 10 or more: 7% off.
|[*L] Standard lead-time for out-of-stock items is approximately two weeks depending on the item.|
|Ordering information. International (non-US) prices available through your local dealer.|
Related product: See also the NIST MS Database if you need a library containing both GC and MS information (not just GC).
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