NIST Spectral Library

[eric3]

We have NIST02.L for Agilent 5973N GCMS EI, analyzing SVOCs and sometimes unknowns. Do you think it worth the money to upgrade to NIST11 for our applications?

eric

[dblux_]

We have NIST02.L for Agilent 5973N GCMS EI, analyzing SVOCs and sometimes unknowns. Do you think it worth the money to upgrade to NIST11 for our applications?

eric

Could you please make a pros and cons list ?

It will help us advice you.

[Amirav]

Eric
An updated NIST 11 will have about 1.5 times more compounds than in the NIST 02,
147K vs 213K as found in the SIS website http://www.sisweb.com/software/ms/nist.htm
Instead or in addition to upgrading the NIST library you may consider the Tal-Aviv Molecule Identifier (TAMI) software based on isotope abundance analysis. It is automatically linked with the NIST search for its confirmation or rejection (if the compound is not in the library) and independently provides elemental formulae for fully unknown compounds if they exhibit molecular ions. Thus, this software can also upgrade your identification capabilities particularly for unknowns.
You can get further information on TAMI at the Aviv Analytical website
http://www.avivanalytical.com/Isotope-Abundance.aspx
Amirav

[KM-USA]

How much is the upgrade, that can matter ? If $50, then a no-brainer. If $15,000, different story.

Like maybe the $7 burger is darn close to the $30 premier burger: one has to decide value?

[adsfo]

Is there any way to install NIST library on old GC/MS 5890/5970 with Chemstation, C.01.00.

[ods-at-pacific]

All version of the NIST Mass Spectral Database beginning with NIST 92 will work with all versions of ChemStation from C.01.00 forward to the current version being distributed.

The Database is distributed in two formats: the ChemStation PBM format which requires separate entries for the spectra and the structures and the NIST format which is required for the NIST MS Search Program. Agilent sells the NIST Database as a package which includes both formats, the NIST MS Search Program, AMDIS, and MS Interpreter. Other distributors like ChemSW and SIS also sell this combination package. In addition they provide the NIST format only with all the software cited above.

The NIST MS Search Program installs interfaced to the ChemStation. If the NIST MS Search Program is on your computer with ChemStation, you should be able to put the Mouse printer on the graphic display of the spectrum and double click the Right Mouse button to send the spectrum to MS Search and have it automatically searched according to a set of preset settings.

You may have some difficulty with the ChemStation macros currently supplied for the NIST MS Search Program, but you can contact me for help.