Spectral Library Download

.MSP Formatted Download 

MSP (NIST) formatted text file containing the spectra and accessible using the NIST MS Search tool as well as other data analysis packages including MZmine and MS-DIAL.

To search the database using the NIST MS Search tool:

• • Download the NIST Search Software and the Lib2NIST Library Conversion Tool found at https://chemdata.nist.gov/dokuwiki/doku.php?id=chemdata:nistlibs.

  • Use the Lib2NIST tool to convert the downloaded DNA adduct .MSP formatted database to the NIST MS Library format. During conversion using the "Options" button:

    1. Under "How to Produce Output", check all three boxes. 

    2. Under "MS/MS", uncheck 2008 MS Search compatible and check the "MS/MS spectra only" 

  • Load the NIST MS Library formatted database into the NIST MS Search tool. 

.db (mzVault) Formatted Download

The mzVault formatted file for use with other Thermo Scientific software tools including the freeware mzVault software and Compound Discoverer.

To search the database using mzVault:

• Register at the Thermo Fisher Flexnet Site (https://flexnetoperations.com/control/thmo/home)

• Under Software & Services, click on "Product List", then click on "Application - mzVault"

• Download and install most recent version of mzVault

• Load the .db library from above link into the mzVault software