adding NIST library to MassHunter

[analyist_bigelow]

Hello,

We have a separately purchased the NIST library that was intended to be used with GCxGC software. I am trying to use the same version of the NIST library with MassHunter version B.06.00 that did not come with its own copy of the NIST library.

I added the NIST library in the "Method Editor: Search Unit Mass Library" window by specifying its path. However, it does not work and does not generate the compound identification results. However, if I manually send a spectrum individually to NIST library it finds a match. Obviously, the later practice is very time-consuming if you are screening an environmental sample.

Anybody have a solution?

Thanks in advance!

[James_Ball]

Did you add it as path\NISTxx.L

I found I had to use the .L files instead of the other files for Mass Hunter to work.

As far as and automated library search and report as the one in MSDChemstation, I have not yet found an equivalent function in Mass Hunter. For such a powerful program, you would think that would be one thing that was as simple to do as it was in the older software.

[soccerdad007]

The nearest I have found to an automated library search in mass hunter is to use the unknowns analysis program which is a separate program from either MH qual or MH quant. From what I can tell it applies deconvolution to the results, extracts out possible compound spectra and then performs a library search on all the spectra found.

Not sure if that is what you want
Kevin

[analyist_bigelow]

James_Ball: I played with the directory path and eventually moved the entire NIST11 folder in the MassHunter\Library folder which has originally the "demo.l" library. It still does not work and return me following error: Please specify a valid spectral library.

Kevin: This is exactly what I am trying to do. However, I am having issues adding a NIST library in the MH.

Thank you both for your inputs.

[James_Ball]

Did your NIST library already work with a previous Agilent system?

If it wasn't Agilent before it may not work with Mass Hunter

This is a description of the two versions of the software, plus there is also a version that ships in both formats.

The standard version of NIST (841010) is recommended for most users (except for Agilent ChemStation/MassHunter and Shimadzu GC/MS Solutions). It includes the NIST library formatted in NIST format, which is the native format understood by the NIST MS Search program, which integrates with a number of data systems (e.g. Varian Saturn, Thermo Xcalibur, Waters MassLynx version >= 4.0). GC/MS, LC/MS, and MS spectra from many data systems can also be imported indirectly into AMDIS (see above) and then library searched via the AMDIS-NIST MS Search program integration.

The Agilent format version of NIST (841010HP) is recommended primarily for most Agilent ChemStation/MassHunter users. It includes everything in the standard version plus the NIST EI library formatted in the Agilent .L library format for library searching directly from Agilent software (e.g. Data Analysis PBM search).