Using Agilent MassHunter to Perform NIST MSMS Search

This Web page demonstrates the use of the Agilent MassHunter Qual (v.10) software for processing MSMS (tandem) mass spectra with the NIST 23 Mass Spectral Search Program (v.3.0). Spectra are easily exported from MassHunter to NIST MS Search for identification with the associated NIST 23 Tandem Libraries and other available user, crowd-sourced, and commercial MSMS libraries.

Information for an instrument manufacturer to include this capability in their software for either EI and/or MSMS searches is found in a link in the resources below. Also, an additional link includes detailed information for using Thermo Orbitrap FreeStyle for NIST MSMS searches.

Content of This Web Page:

-Videos demonstrating the process
-Supporting handouts in PDF format
-Agilent MassHunter Demo files
-Annotated Chromatograms showing structures and names for components identified in Demo files
-Links to Agilent instructional YouTube videos demonstrating basic data processing in MassHunter
-Link to detailed course for NIST MSMS Search Software

Videos in Two Different Formats

YouTube Introductory Video
MP4 Format Introductory Video

YouTube Additional Tips in More Detail
MP4 Additional Tips in More Detail

Handouts for Videos

PDF Handout for Introductory Video
PDF for Tips in More Detail Video

Resource Links:

Library Settings NIST23 MS Search V3.0 (Tandem Mode)
Agilent OpenLab MSMS Processing with NIST Search
NIST23 Content and Purchasing
Details on Using Hybrid Search
Raw Agilent LC-MS/MS Data Files and Annotated Chromatograms
Manual for Agilent MassHunter Qualitative Analysis
Full MSMS Course
MassHunter Qualitative Analysis Training Video EP01-Basic Navigation
MassHunter Qualitative Analysis Training Video EP02-Extracting Ion Chromatograms
MassHunter Qualitative Analysis Training Video EP03-Other Miscellaneous Tips
Details for Including NIST MS Search in Vendors' Software and Examples
Details for Using Thermo Freestyle for NIST MSMS Searches
FREE MSMS Library Spectra in NIST Format