Using Thermo Freestyle to Perform NIST MSMS Search

This Web page demonstrates the use of the Thermo Freestyle 1.8 SP2 QF1 software for processing LCMS product-ion mass spectra with the NIST 23 Mass Spectral Search Program (v.3.0). Spectra are easily exported from Freestyle to NIST Search for component identifications utilizing the NIST MSMS libraries and any other available user, crowd-sourced, and commercial MSMS libraries. Freestyle is a very convenient software package for processing data obtained with the their Orbitrap LCMS instruments. In one run both the MS1 and MS2 spectra are obtained in both positive and negative ion modes. The Diode arrary and UV channels can also be easily displayed for targeting the desired species noted in LC analyses.

Information for an instrument manufacturer to include this capability in their software for either EI and/or MSMS searches is noted in a link in the resources below. Also, an additional link inlcudes a very detalied description of Agilent MassHunter with the NIST search.

Content of This Web Page:

-YouTube videos with instructions for using FreeStyle in NIST MSMS searches
-Supporting handouts in PDF format
-Thermo Orbitrap Demo files
-Annotated Chromatograms showing structures and names for components identified in demo files
-Link to detailed course for NIST MSMS Search Software

Course YouTube Videos:

Part 1: My Favorite Processing Mode in Freestyle (13 min)
Part 1A: Using "Nearby Precursor" Enhanced Processing Mode in FreeStyle (6 min)
Part 2: Alternate Processing Modes in Freestyle (9 min)
Part 3: Setup of Basic Settings in Freestyle and NIST Search (8 min)
Part 4: Different NIST MSMS Searches Demonstrated (19 min)
Part 5: Elemental Processing within Thermo Freestyle (5 min)