Wiley Seminar - Part V: Creating and Sharing User EI and MS/MS Libraries
Tu, 23.3.2021
| Original article from: Mass Spec Interpretation Services/James Little
Mass Spec Interpretation Services/James Little: 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:
James Little/Mass Spec Interpretation Services
