Effective Use of EI Mass Spectral Databases in Unknown Identifications

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NIST, Wiley, and user-created EI mass spectral libraries are very powerful tools for the identification of organic compounds in complex mixtures by gas chromatography-mass spectrometry (GC-MS).  This series of webinars will demonstrate the use of the NIST software suite including the NIST Search, AMDIS, and MS Interpreter for searching EI libraries. The series should be useful to a wide variety of research and developmental scientists involved in medical, environmental, industrial, forensic, and biological disciplines.

The webinars demonstrate both Versions 3.0 (2023) and V2.4 of the NIST search. If you are using V3.0, start with Part 0. If you are using V2.4, start with Part I.

Videos:

Part 0: Changes in EI NIST23 Program (V3.0)
Part I: Spectral Searches with NIST MS Search
Part II: Structure Searches with MS Search and Using MS Interpreter
Part III: AMDIS (NIST) for Processing EI Mass Spectral Data Files
Part IV: Advanced NIST Hybrid Search of EI and MS/MS Spectra
Part V: Creating and Sharing User EI and MS/MS Libraries
Part VI: Creating and Using Retention Indices in NIST Software
Part VII:  Tracking Complex Coelution with AMDIS and NIST Search

Higher Quality Video Part 0
Higher Quality Videos Pt. I-V Zipped

Detailed Handouts:

Part 0: Changes in EI NIST23 Program (V3.0)
Part I: Spectral Searches with NIST MS Search-12-27-20
Part II: Structure Searches with NIST Search and MS Interpreter
Part III:  AMDIS (NIST) for Processing EI Mass Spectral Data Files
Part IV: Advanced NIST Hybrid Search of EI Spectra
Part V: Creating and Sharing User EI and MS/MS Libraries
Part VI:  Creating and Using Retention Indices in NIST Software
Part VII:  Tracking Complex Coelution with AMDIS and NIST Search

Handouts_Pt. 1-Pt. V-zipped_12-27-20

Other Webinar Resources:

Test Files Used In Part VII for Tracking Coelution in Complex Mixtures with AMDIS and NIST
New NIST23 Brochures and Purchasing

NIST23 ASMS Presentation Houston, TX
NIST 23 Separation Science Article by David Sparkman
NIST and AMDIS User Manuals
NIST Approach for Creating Libraries
Databases Listed in Version 3.0 (2023)

ACD Free Software (structure drawing program personal/academic use)
Mass Spec Calculator Professional (free structure drawing program)
Using with Manufacturers Data Processing Software
Delta Mass Table (Excel Format)
Delta Mass Table (PDF format)
Hybrid Search/ChemSpider/SciFinder for Illicit Drug Identifications
Importing Mass Spectra to NIST Search Program
MS_Interpreter Correlating Structure to Spectrum
NIST Tutorials and Settings for AMDIS
Example Files for Part III AMDIS Webinar
Example Spectra/Structures in Library Format Parts I-V
Wiley Library User Manual with Spectral Source Codes
Using with Manufacturers Data Processing Software

Components in Free MONA Libraries
MONA Library in EI format
MONA and Other Free Libraries, 60,829 EI Spectra
(see read_me in zip file)

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