Posted by: tvasailor | July 11, 2014

Accurate Mass User Libraries in NIST14 Release

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Users can now add accurate mass EI and MS/MS to their libraries.  This is an updated feature distributed with the recent NIST 14 library and Search software release.  A brochure from a distributor is shown below and also another link to “What’s New”:

NIST Brochure

“What’s New NIST14”

I have shown some examples of accurate mass EI and MS/MS spectra in the link below.  The data was obtained on a Waters GCT and processed in MassLynx.

Examples User Accurate Mass EI and MS/MS Spectra in NIST14 Software

The next link details information from David Sparkman for utilizing FreeStyle.  This application is supplied by ThermoFisher with their Orbitrap (Q Exactive).  It is a stand-alone data processing application that will transfer accurate mass EI data to the NIST search software.  The Qual Browser software within Xcalibur will not export accurate mass data to the NIST search.

Detailed information for Orbitrap EI data Export to NIST

The last link contains abbreviated instructions written by J. Little for exporting EI Orbitrap data to NIST using FreeStyle:

Abbreviated information for Orbitrap EI Data to NIST

acc mass

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