Th, 17.10.2024 | Original article from: Mass Spec Interpretation Services / James Little
This web page demonstrates the use of the Agilent MassHunter Software for processing MSMS data files. The MSMS spectra are easily sent to the NIST MSMS Search program for identification.Using Agilent MassHunter to Perform NIST MSMS Search
- Photo: James Little: Using Agilent MassHunter to Perform NIST MSMS Search
- Video: james little: Agilent MassHunter Software for NIST MSMS Library Searches Version 2
This web page demonstrates the use of the Agilent MassHunter Software for processing MSMS data files. The MSMS spectra are easily sent to the NIST MSMS Search program for identification. The 2023 version of the NIST library and Version 10 of MassHunter are utilized in this video.
Many other manufacturers also have the capability to send spectra to the NIST search in both MSMS and EI modes. I have included a PDF file demonstrating a Thermo FreeStyle example in the resource links.
Information for an instrument manufacturer to include this capability in their software for either EI and/or MSMS searches is supplied. The link also includes additional information on various vendor approaches.
James Little: Using Agilent MassHunter to Perform NIST MSMS Search.
Content of This Web Page:
- Video demonstrating abbreviated overview of the process
- Supporting handout in PDF format
- 3 Sets of Agilent Test files containing common components found in the NIST MSMS library
- Annotated Chromatograms showing structures and names for components identified in test files
- Links to Agilent instructional YouTube videos demonstrating basic data processing in MassHunter
- Link to detailed course for NIST MSMS Search Software
Two Different Formats for Overview Video (~7 minutes):
The handout for the video is available in LabRulezLCMS library
Resource Links:
- Full MSMS Course
- Handout for Video
- Library Settings NIST23 MS Search V3.0 (Tandem Mode)
- Veterinary Sample Data File Agilent format
- Forensics Sample Data File Agilent Format
- Pesticide Sample Data File Agilent Format
- Annotated Chromatograms for Components Identified
- Thermo FreeStyle Example of NIST Search for Orbitrap MSMS Data
- Details for Including NIST MS Search in vendors' and other vendor examples
- 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
Other MassHunter videos are available, EP01-EP08 on the Internet
