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.
<h3>The Part I will cover:</h3>
Detailed Handouts including tables of content are available in the <a href="https://gcms.labrulez.com/library?search=spectral%20searches%20with%20nist%20ms%20search&amp;manufacturerItems=55">LabRulezGCMS library</a>.
<ul>
<li>NIST Mass Spectrometry Software and Wiley Libraries</li>
<li>Help Files for NIST Search</li>
<li>General Windows commands/functions </li>
<li>Customizing the windows </li>
<li>Tour of NIST Search Program </li>
<li>Critical parameters for searching library</li>
<li>Setting up presearch parameters</li>
<li>Primary Libraries of EI Spectra and Associated Structures </li>
<li>Other EI Libraries: Wiley/NIST Combined and specialty </li>
<li>Selecting the libraries used for spectral searches </li>
<li>Select the libraries used for similar structure searches </li>
<li>Selecting limits to avoid high match factors for partial spectra </li>
<li>Constraints applied to hit list after the list is determined </li>
<li>Saving setup of standard search parameters </li>
<li>Searching demonstration/Tip No. Synonyms and databases </li>
<li>Reverse match for mixtures versus standard match .</li>
<li>Display of related species </li>
<li>InChIKey field link to PubChem on web </li>
<li>Updating indices in older libraries</li>
<li>Library spectra m/z values by nominal not exact mass </li>
<li>Retention indices (Kovat) determined by users in AMDIS</li>
<li>Different derivative displays</li>
<li>Using NIST software to obtain proposed nominal MW and substructures</li>
<li>Webinar references </li>
<li>Acknowledgements</li>
</ul>
<h3>Future parts will focus on:</h3>
<ul>
<li><a href="https://gcms.labrulez.com/article/1086">Part II: Structure Searches with NIST MS Search and Using MS Interpreter</a>
</li>
<li><a href="https://gcms.labrulez.com/article/1109">Part III: AMDIS (NIST) for Processing EI Mass Spectral Data Files</a>
</li>
<li><a href="https://gcms.labrulez.com/article/1128">Part IV: Advanced NIST Hybrid Searchof EI and MS/MS Spectra</a>
</li>
<li><a href="https://gcms.labrulez.com/article/1160">Part V: Creating and Sharing User EI and MS/MS Libraries</a>
</li>
</ul>

Wiley Seminar - Part I: Spectral Searches with NIST MS Search

MS/MS (Tandem) spectra can be used to identify unknowns employing library searches. This is accomplished in much the same approach as that employed for EI GC-MS with the NIST search software. The much improved NIST Search Version 2.4 is included with the 2020 library release. 
I will attempt to introduce the user to the use of the NIST Version 2.4 search software employing NIST, Wiley, “crowd-sourced (MoNA)”, and user libraries for the identification of unknowns.
NIST has an ambitious program to extend their already comprehensive, high-quality MS/MS databases. 
See the following link: <a href="https://littlemsandsailing.files.wordpress.com/2020/12/xiaoyu_yang_asms2020_presentation.pdf">NIST Pipeline for Extending MS/MS Libraries</a>
This involves a very comprehensive process for selecting pertinent compounds for purchase and subsequent analyses. The problem with variability of the spectra is reduced by analyzing the samples on a variety of instruments at a variety of energy levels (20 steps). In addition, many different precursor ions and fragment ions are characterized (MSⁿ). This has already led to a very large high quality library of accurate mass MS/MS spectra in the 2020 release version (31K compounds/1.3 M spectra) and the effort is ongoing.
<h3>The Part I will cover:</h3>
Detailed Handouts including tables of content are available in the <a href="https://lcms.labrulez.com/library?search=lc%2Fms%20unknown%20identifications%20using%20msms%20libraries&amp;manufacturerItems=55">LabRulezLCMS library</a>.
<ul>
<li>Introduction of Presenter, James Little</li>
<li>Table of Contents </li>
<li>Series Topics</li>
<li>NIST MS Software and MSMS (Tandem) Libraries</li>
<li>Help Files for NIST Search</li>
<li>NIST Software Windows Compliant Features</li>
<li>Saving and Restoring User Configurations</li>
<li>Main Functions on Toolbar</li>
<li>View of Search Options Employed</li>
<li>Main Window in Lib Search View</li>
<li>Tabs for Other Functions Accessed at Bottom of Main Library Window</li>
<li>Names Search Tab </li>
<li>Setting Up search Parameters for MSMS Searches</li>
<li>InChiKey Field Link to PubChem on Web </li>
<li>Molecular Formulae for Fragments Shown in High Resolution Spectra</li>
<li>Live Demo on YouTube of Software </li>
<li>References (Internet Links)</li>
<li>Acknowledgements</li>
</ul>
<h3>Future parts will focus on:</h3>
<ul>
<li>Part II: NIST MSMS Search Software and Libraries</li>
<li>Part III: More Detailed Discussion of MSMS Hybrid Search</li>
<li>Part IV: Importing MSMS Spectra</li>
<li>Part V: NIST Structure Searches</li>
<li>Part VI: MS Interpreter Correlation of Substructure to MSMS Ions</li>
<li>Part VII: Using and Creating Other MSMS Libraries</li>
<li>Part VIII: Identification of Unknowns with “Spectraless” Libraries</li>
</ul>

LC/MS Unknown Identifications Using MSMS Libraries Part I: Overview of Software and User-Customized Configurations

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