James Little/Mass Spec Interpretation Services
My main interest is the identification of organic compounds by mass spectrometry in organic mixtures.
Menu
Other projects
Follow us
More information
Author
Tags
Video
Academy
Webinars
Wiley Seminar - Part V: Creating and Sharing User EI and MS/MS Libraries
Mo, 22.3.2021
| 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
Related content
Simplified Analysis of Aqueous Short Chain Fatty Acids by GC/MS
Applications
| 2021 | Shimadzu
Instrumentation
GC/MSD, GC/SQ
Manufacturer
Shimadzu
Industries
Food & Agriculture
Related articles
Video | Academy
Wiley Seminar - Part I: Spectral Searches with NIST MS Search
A demo of NIST MS search for identifying components in EI GC-MS analyses is presented. The data is acquired on a variety of GC-MS systems then sent to the NIST MS search for processing.
Video | Academy
Wiley Seminar - Part II: Structure Searches with NIST MS Search and Using MS Interpreter
A demo of NIST MS exact and similar structure search for finding model compounds is presented. A user can use their preferred drawing programs for inputting structures into the NIST MS Search program.
Related content
Simplified Analysis of Aqueous Short Chain Fatty Acids by GC/MS
Applications
| 2021 | Shimadzu
Instrumentation
GC/MSD, GC/SQ
Manufacturer
Shimadzu
Industries
Food & Agriculture
Related articles
Video | Academy
Wiley Seminar - Part I: Spectral Searches with NIST MS Search
A demo of NIST MS search for identifying components in EI GC-MS analyses is presented. The data is acquired on a variety of GC-MS systems then sent to the NIST MS search for processing.
Video | Academy
Wiley Seminar - Part II: Structure Searches with NIST MS Search and Using MS Interpreter
A demo of NIST MS exact and similar structure search for finding model compounds is presented. A user can use their preferred drawing programs for inputting structures into the NIST MS Search program.
Related content
Simplified Analysis of Aqueous Short Chain Fatty Acids by GC/MS
Applications
| 2021 | Shimadzu
Instrumentation
GC/MSD, GC/SQ
Manufacturer
Shimadzu
Industries
Food & Agriculture
Related articles
Video | Academy
Wiley Seminar - Part I: Spectral Searches with NIST MS Search
A demo of NIST MS search for identifying components in EI GC-MS analyses is presented. The data is acquired on a variety of GC-MS systems then sent to the NIST MS search for processing.
Video | Academy
Wiley Seminar - Part II: Structure Searches with NIST MS Search and Using MS Interpreter
A demo of NIST MS exact and similar structure search for finding model compounds is presented. A user can use their preferred drawing programs for inputting structures into the NIST MS Search program.
Related content
Simplified Analysis of Aqueous Short Chain Fatty Acids by GC/MS
Applications
| 2021 | Shimadzu
Instrumentation
GC/MSD, GC/SQ
Manufacturer
Shimadzu
Industries
Food & Agriculture
Related articles
Video | Academy
Wiley Seminar - Part I: Spectral Searches with NIST MS Search
A demo of NIST MS search for identifying components in EI GC-MS analyses is presented. The data is acquired on a variety of GC-MS systems then sent to the NIST MS search for processing.
Video | Academy
Wiley Seminar - Part II: Structure Searches with NIST MS Search and Using MS Interpreter
A demo of NIST MS exact and similar structure search for finding model compounds is presented. A user can use their preferred drawing programs for inputting structures into the NIST MS Search program.
Other projects
Follow us
More information