Wiley Seminar - Part IV: Advanced NIST Hybrid Searchof EI and MS/MS Spectra

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 IV 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
• Program description and my personal experience
• Hybrid generates score based on both fragments and neutral losses
• Setting up indices for EI hybrid search for Wiley and user libraries
• Saving configuration for EI hybrid search
• Hybrid search results for unknown
• Tip: See normal EI identity search results in hybrid search list
• “Mentally” merge information of hybrid and simple EI identity search
• Closer look at middle display of hybrid search
• Neutral loss display of hybrid search results
• Use available accurate mass data to support nominal mass hybrid search
• Hybrid search needs nominal MW of species to work properly
• Using NIST software to obtain proposed nominal MW
• View of hit list structure hybrid search options
• DeltaMass table
• Associating some simple structures with DeltaMass values
• Other things to consider using hybrid search for unknown identification
• NIST MSMS (tandem) hybrid searches
• Additional NIST MSMS (tandem) hybrid search menus
• Wiley MSMS (tandem) libraries
• Webinar references
• Acknowledgements

Future parts will focus on:

• Part V: Creating and Sharing User EI and MS/MS Libraries

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