Wiley Seminar - Part II: Structure Searches with NIST MS Search and Using MS Interpreter

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 II 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
• Primary Libraries of EI Spectra and Associated Structures
• Select the libraries used for Exact Structure searches
• Obtaining structures from chemical drawing program
• Search for similar structures after inserting clipboard structure
• Sending Structure from MS Search to drawing program
• Tips for displaying structure search results
• Tips for displaying related structures in structure searches
• Search for exact structures
• Using compare window to display multiple spectra
• View of hit list structure search options utilized
• MS interpreter for correlating structure to spectrum
• Do the 3 isomers of methyl hydroxybenzoate fragment differently?
• Any structure and associated spectrum sent to MS Interpreter
• Accurate mass spectrum correlated to structure in MS Interpreter
• Webinar references
• Acknowledgements

Future parts will focus on:

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

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

• 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