Wiley Seminar - Part V: Creating and Sharing User EI and MS/MS Libraries

I presented a 5-part Wiley Webinar Series in August-September, 2020 on EI library searches. The series demonstrates the effective use of NIST software such as MS Search, MS Interpreter, and AMDIS with the Wiley, NIST, and user-created libraries.

The Part V will cover:

Detailed Handouts including tables of content are available in the LabRulezGCMS library.

• Webinar topics
• Help Files for NIST Search
• General Windows commands/functions
• Creating a user library spectrum
• Creating a user library spectrum: opening edit spectrum
• Creating a user library spectrum: spectrum information window
• Creating a user library spectrum: adding comments and synonyms
• Creating a user library spectrum: using windows notepad and tags
• Creating a user library spectrum: comment field display with user tags
• Creating a user library spectrum: comment field display showing user tags
• Tags included with Wiley libraries
• Possible quality checks before adding spectra to user libraries
• Addition of spectrum to user library or creating new library
• (Re)Index Indices for structure, hybrid search and InChIKey for user library
• NIST formatted user libraries at Eastman Chemical Company
• Software essentials and approach
• Excerpt of typical DOS script used in approach
• Webinar References
• Acknowledgements

The past sections have focused on:

• Part I: Spectral Searches with NIST MS Search

• Part II: Structure Searches with NIST MS Search and Using MS Interpreter

• Part III: AMDIS (NIST) for Processing EI Mass Spectral Data Files

• Part IV: Advanced NIST Hybrid Searchof EI and MS/MS Spectra