<p><strong>In the first half of February 2021, so far the following webinars await you in the field of LC and LCMS. More <a href="https://lcms.labrulez.com/webinars">details and registration can be found in the WEBINARS section.</a>:</strong></p>
<p><strong>Search and filter</strong> in more than <strong>600 LC and GC webinars</strong>.</p>
<h5><strong>1. Agilent Technologies: Recent Developments in Ion Mobility - Mass Spectrometry: Enabling Structural and Isomeric Separation for Large and Small Molecules</strong></h5>
<p>The talk will present on two specific areas of developments in Ion Mobility - Mass Spectrometry. Structural differences in native proteins and also focusing on the achievements in high resolution ion mobility.</p>
<h5><strong>2. Agilent Technologies: MassHunter Study Manager: streamline your LC/MS workflow and increase analytical productivity</strong></h5>
<p>MassHunter Study Manager is a software tool that automates LC/MS analyses for multiple sample sets and studies queued up for analysis on a single instrument.</p>
<h5><strong>3. Shimadzu Scientific Instruments: Analysis of Steroid Hormones by LC-MS/MS: Advancing Research in HIV/AIDS and Reproductive Sciences</strong></h5>
<p>This presentation will focus on ways in which the Endocrine Technologies Core applies LC-MS/MS analysis of steroid hormones to advancing research in HIV/AIDS, reproductive disorders, and contraception. </p>
<h5><strong>4. SelectScience/Waters Corporation: Compliance-ready intact mass analysis of modified oligonucleotides and impurities using the BioAccord LC-MS System</strong></h5>
<p>In this webinar, we will talk about how the BioAccord LC-MS system has helped users analyze a diverse range of modified oligonucleotides and known impurities using the compliance-ready workflow.</p>
<h5><strong>5. SelectScience/Agilent Technologies/Protein Metrics: Comprehensive adeno-associated virus critical quality attributes analysis with LC-MS</strong></h5>
<p>In this expert webinar we will highlight a workflow to characterize AAVs at the intact and peptide level, including PTM identification, host cell protein analysis and sequence variants.</p>
<h5><strong>6. Agilent Technologies: Technological Innovations to Speed Protein Characterization</strong></h5>
<p>In this presentation we present several mass spectrometry-based technologies used in a stage appropriate manner to dramatically shorten timelines and improve throughput in biologics research.</p>
<h5><strong>7. Agilent Technologies: Method Development for Multi-class, Multi-residue Analysis in Matrices</strong></h5>
<p>Five main phases of method development and optimization will be demonstrated including MS/MS conditions for individual compounds; LC conditions; sample preparation; validation or data acceptance.</p>
<h5><strong>8. Bruker Daltonics: High-Throughput Proteomics During a Pandemic</strong></h5>
<p>In this webinar will show the application and limitations of HT timsTOF Pro MS on large scale clinical sample sets in order to stratify patients and contribute to a multi-omics blood atlas of COVID-19 patients.</p>
<h5><strong>9. C&amp;EN/Agilent Technologies: Agilent OpenLab Remote Access Solutions to increase productivity</strong></h5>
<p>This webinar introduces using &quot;Thin Client&quot; technology which enables all Masshunter, ChemStation or OpenLab CDS to be accessed outside the lab, whether this is at from nearby desks, across sites, or from home. </p>
<h5><strong>10. Shimadzu Scientific Instruments: Affinity Selection-Mass Spectrometry for the Discovery of Pharmacologically Active Natural Products</strong></h5>
<p>In this webinar we will talk about Affinity Selection - Mass Spectrometry for the Discovery of Pharmacologically Active Natural Products.</p>


LC and LCMS webinars - February 2021

<p><strong>In the week from February 8, 2021, the following webinars await you in the field of LC and LCMS.  More <a href="https://lcms.labrulez.com/webinars">details and registration can be found in the WEBINARS section.</a>:</strong></p>
<p><strong>Search and filter</strong> in more than <strong>600 LC and GC webinars</strong>.</p>
<h5><strong>1. SelectScience/Agilent Technologies/Protein Metrics: Comprehensive adeno-associated virus critical quality attributes analysis with LC-MS</strong></h5>
<p>In this expert webinar we will highlight a workflow to characterize AAVs at the intact and peptide level, including PTM identification, host cell protein analysis and sequence variants.</p>
<h5><strong>2. Agilent Technologies: Technological Innovations to Speed Protein Characterization</strong></h5>
<p>In this presentation we present several mass spectrometry-based technologies used in a stage appropriate manner to dramatically shorten timelines and improve throughput in biologics research.</p>
<h5><strong>3. Agilent Technologies: Method Development for Multi-class, Multi-residue Analysis in Matrices</strong></h5>
<p>Five main phases of method development and optimization will be demonstrated including MS/MS conditions for individual compounds; LC conditions; sample preparation; validation or data acceptance.</p>
<h5><strong>4. Agilent Technologies: Analytical Labs: SLIMS Introductory Demonstration</strong></h5>
<p>This demonstration will focus on the implementation of a workflow and includes a complete round trip, from the original request to final reporting. </p>
<h5><strong>5. Bruker Daltonics: High-Throughput Proteomics During a Pandemic</strong></h5>
<p>In this webinar will show the application and limitations of HT timsTOF Pro MS on large scale clinical sample sets in order to stratify patients and contribute to a multi-omics blood atlas of COVID-19 patients.</p>
<h5><strong>6. C&amp;EN/Agilent Technologies: Agilent OpenLab Remote Access Solutions to increase productivity</strong></h5>
<p>This webinar introduces using &quot;Thin Client&quot; technology which enables all Masshunter, ChemStation or OpenLab CDS to be accessed outside the lab, whether this is at from nearby desks, across sites, or from home. </p>
<h5><strong>7. Shimadzu Scientific Instruments: Affinity Selection-Mass Spectrometry for the Discovery of Pharmacologically Active Natural Products</strong></h5>
<p>In this webinar we will talk about Affinity Selection - Mass Spectrometry for the Discovery of Pharmacologically Active Natural Products.</p>


LC and LCMS webinars - Week 6

<p><strong>In the week from February 15, 2021, the following webinars await you in the field of LC and LCMS.  More <a href="https://lcms.labrulez.com/webinars">details and registration can be found in the WEBINARS section.</a>:</strong></p>
<p><strong>Search and filter</strong> in more than <strong>600 LC and GC webinars</strong>.</p>
<h5><strong>1. Dr. Maisch High Performance LC: LONGLIFE Preparative Scale Column Hardware</strong></h5>
<h5><strong>2. Separation Science/SCIEX: NPS Screening and Identification: Nominal and Accurate Mass Approaches for Ultimate Success</strong></h5>
<h5><strong>3. Thermo Fisher Scientific: Accurate and precise quantification: the next level of proteome profiling with the Orbitrap Exploris 240 mass spectrometer</strong></h5>
<h5><strong>4. Agilent Technologies: Biopharma Symposium 2021 Day 1</strong></h5>
<h5><strong>5. Phenomenex: Method Development Strategies for Purity Analysis of Proteins by Intact and Subunit Analysis</strong></h5>
<h5><strong>6. Agilent Technologies: Developing Multidimensional Skyline Spectral Libraries for Rapid Lipid Analysis</strong></h5>
<h5><strong>7. Agilent Technologies: Biocompatible 1290 Infinity II Bio LC for your most complex Biopharma needs</strong></h5>
<h5><strong>8. Agilent Technologies: Agilent Pharma Virtual Symposium - Day 1</strong></h5>
<h5><strong>9. Waters Corporation: Experience and Perspective on the Cyclic IMS for Characterization of Oligo-/Polysaccharides</strong></h5>
<h5><strong>10. Thermo Fisher Scientific: Confident and sensitive quantitation using data independent acquisition (DIA)</strong></h5>
<h5><strong>11. C&amp;EN/Eurofins CDMO Alphora: A Scientific Journey of a Niche API Achieving Breakthrough Status by the FDA for a Lifesaving Drug for Infants</strong></h5>
<h5><strong>12. Agilent Technologies: WHERE Do I Go From Here: Updating Old HPLC Methods</strong></h5>
<h5><strong>13. Agilent Technologies: Biopharma Symposium 2021 Day 2</strong></h5>
<h5><strong>14. Phenomenex: Improving LC Performance Through Optimization of Complementary Governing Method Components</strong></h5>
<h5><strong>15. Agilent Technologies: Agilent Pharma Virtual Symposium - Day 2</strong></h5>
<h5><strong>16. Thermo Fisher Scientific: An Investigative Metabolomics Study on the Orbitrap Exploris 240 Mass Spectrometer: New Features, Optimized Methods and a Results Discussion</strong></h5>
<h5><strong>17. Thermo Fisher Scientific: Rigorous Measurement and confident identification of the Lipidome</strong></h5>


LC and LCMS webinars - Week 7

<p><strong>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.</strong> </p>
<p>I will attempt to introduce the user to the use of the <strong>NIST Version 2.4 search software</strong> employing NIST, Wiley, “crowd-sourced (MoNA)”, and user libraries for the <strong>identification of unknowns</strong>.</p>
<p>NIST has an ambitious program to extend their already comprehensive, high-quality MS/MS databases. </p>
<p>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></p>
<p>This involves a very comprehensive process for <strong>selecting</strong> pertinent compounds for purchase and subsequent <strong>analyses</strong>. The problem with variability of the spectra is reduced by analyzing the samples on a <strong>variety of instruments</strong> at a <strong>variety of energy levels</strong> (20 steps). In addition, many different <strong>precursor ions</strong> and <strong>fragment ions</strong> are characterized (MSⁿ). This has already led to a very large high quality library of <strong>accurate mass MS/MS spectra in the 2020 release version</strong> (31K compounds/1.3 M spectra) and the effort is ongoing.</p>
<h3><strong>The Part I will cover:</strong></h3>
<p>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>.</p>
<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><strong>Future parts will focus on:</strong></h3>
<ul>
<li>Part II:   <strong>NIST MSMS Search Software and Libraries</strong></li>
<li>Part III:  <strong>More Detailed Discussion of MSMS Hybrid Search</strong></li>
<li>Part IV:   <strong>Importing MSMS Spectra</strong></li>
<li>Part V:    <strong>NIST Structure Searches</strong></li>
<li>Part VI:   <strong>MS Interpreter Correlation of Substructure to MSMS Ions</strong></li>
<li>Part VII:  <strong>Using and Creating Other MSMS Libraries</strong></li>
<li>Part VIII: <strong>Identification of Unknowns with “Spectraless” Libraries</strong></li>
</ul>


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

<p><strong>In the week from February 22, 2021, the following webinars await you in the field of LC and LCMS.  More <a href="https://lcms.labrulez.com/webinars">details and registration can be found in the WEBINARS section.</a>:</strong></p>
<p><strong>Search and filter</strong> in more than <strong>600 LC and GC webinars</strong>.</p>
<h5><strong>1. Phenomenex: Overview of USP and Ph.Eur. Allowable Adjustments for HPLC Monograph Methods</strong></h5>
<h5><strong>2. Agilent Technologies: Characterization and Quantification of Synthetic Oligonucleotides Using HRAM and QQQ</strong></h5>
<h5><strong>3. PerkinElmer: Food Safety: Advances in Methods for Determination of Allergens in food by LC-MS/MS</strong></h5>
<h5><strong>4. Shimadzu Scientific Instruments: The Role of LC-MS in Glycoscience Research</strong></h5>
<h5><strong>5. Technology Networks/Ascension Sciences: Formulating Cannabinoid Particles for Therapeutics</strong></h5>
<h5><strong>6. Agilent Technologies: Scale Up in Minutes: A Practical Example of Preparative HPLC Scale Up from an Analytical Method</strong></h5>
<h5><strong>7. VWR: Getting the best out of solid core technology for small and large molecule analysis</strong></h5>
<h5><strong>8. Evosep Biosystems: Covid-19 research with Evosep One</strong></h5>


LC and LCMS webinars - Week 8

<p><strong>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.</strong> </p>
<p>I will attempt to introduce the user to the use of the <strong>NIST Version 2.4 search software</strong> employing NIST, Wiley, “crowd-sourced (MoNA)”, and user libraries for the <strong>identification of unknowns</strong>.</p>
<p>NIST has an ambitious program to extend their already comprehensive, high-quality MS/MS databases. </p>
<p>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></p>
<p>This involves a very comprehensive process for <strong>selecting</strong> pertinent compounds for purchase and subsequent <strong>analyses</strong>. The problem with variability of the spectra is reduced by analyzing the samples on a <strong>variety of instruments</strong> at a <strong>variety of energy levels</strong> (20 steps). In addition, many different <strong>precursor ions</strong> and <strong>fragment ions</strong> are characterized (MSⁿ). This has already led to a very large high quality library of <strong>accurate mass MS/MS spectra in the 2020 release version</strong> (31K compounds/1.3 M spectra) and the effort is ongoing.</p>
<h3><strong>The Part II will cover:</strong></h3>
<p>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>.</p>
<ul>
<li>Introduction to Presenter, James Little</li>
<li>Table of Contents </li>
<li>Series of Talks: LCMS Unknown Identifications Using MSMS Libraries</li>
<li>Help Files for NIST Search</li>
<li>NIST Software in General is “Windows Compliant” </li>
<li>NIST Tandem Quick Start Guide</li>
<li>Overview: NIST Mass Spectrometry Software and MSMS Libraries </li>
<li>Limitations of MSMS Searches for Unknown Identifications </li>
<li>Three Basic Types of NIST MSMS (Tandem) Searches </li>
<li>Overall Description for Searching Libraries and Displaying Results</li>
<li>NIST MSMS (Tandem) Libraries 2020 Release </li>
<li>Minimizing Number of Results After Search Performed </li>
<li>Two Types of Ions Filtered with MSMS Hit List Filter Option </li>
<li>Setting Default Parameters for Similarity Search (7 Steps)</li>
<li>Setting Default Parameters for Identify MS/MS Search (8 Steps) </li>
<li>Setting Default Parameters for MS/MS Hybrid Search (9 Steps) </li>
<li>Searching Demonstration (Live YouTube) </li>
<li>Presentation References (Internet Hyperlinks)</li>
<li>Acknowledgements</li>
</ul>
<h3><strong>Future parts will focus on:</strong></h3>
<ul>
<li>Part III:  <strong>More Detailed Discussion of MSMS Hybrid Search</strong></li>
<li>Part IV:   <strong>Importing MSMS Spectra</strong></li>
<li>Part V:    <strong>NIST Structure Searches</strong></li>
<li>Part VI:   <strong>MS Interpreter Correlation of Substructure to MSMS Ions</strong></li>
<li>Part VII:  <strong>Using and Creating Other MSMS Libraries</strong></li>
<li>Part VIII: <strong>Identification of Unknowns with “Spectraless” Libraries</strong></li>
</ul>


LC/MS Unknown Identifications Using MSMS Libraries Part II: NIST Search Software and Libraries

<p><strong>In the week from March 1, 2021, the following webinars await you in the field of LC and LCMS.  More <a href="https://lcms.labrulez.com/webinars">details and registration can be found in the WEBINARS section.</a>:</strong></p>
<p><strong>Search and filter</strong> in more than <strong>600 LC and GC webinars</strong>.</p>
<h5><strong>1. Thermo Fisher Scientific: FreeStyle, the qualitative Explorer</strong></h5>
<p>Making the transition from Qualbrowser to Freestyle? Thermo Fisher Scientific FreeStyle application is used to visualize and qualitatively analyze RAW data.</p>
<h5><strong>2. Agilent Technologies: Electron Fragmentation-Based Workflows for Characterizing Proteoforms with Agilent Q-ToFs</strong></h5>
<p>The ExD cell preserves labile post-translational modifications, differentiate isobaric leucine from isoleucine as well as isoaspartate from aspartate, and can cleave disulfide bonds in cysteine knot proteins.</p>
<h5><strong>3. LCTech GmbH: Cannabis analysis - From Plant to Product Solution</strong></h5>
<p>In this webinar we will cover Aflatoxins and other Mycotoxins in Cannabis and Sample Clean-up for the Determinaton of Pesticide using non-dispersive QuEChERS Method.</p>
<h5><strong>4. Waters Corporation: Characterization of Viral Glycopeptides and Support of Global SARS-CoV-2 Efforts</strong></h5>
<p>Join us for a user’s perspective on the characterization of the SARS-CoV-2 glycopeptides by using Ion Mobility Separation (IMS) and mass spectrometry (MS). </p>
<h5><strong>5. C&amp;EN/Agilent Technologies: Enabling Automated Metabolite and Lipid Extraction with the Agilent Bravo Liquid Handler</strong></h5>
<p>The Bravo Metabolomics Sample Prep Platform is built on the Bravo liquid handling system and specifically designed to prepare samples as part of the Agilent Metabolomics workflow solution.</p>
<h5><strong>6. Agilent Technologies: Electron Fragmentation for the Agilent Q-TOF Family</strong></h5>
<p>Here we are going to discuss how ECD facilitates the characterization of post-translational modifications (PTMs) without loss of labile groups.</p>


LC and LCMS webinars - Week 9

<p><strong>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.</strong> </p>
<p>I will attempt to introduce the user to the use of the <strong>NIST Version 2.4 search software</strong> employing NIST, Wiley, “crowd-sourced (MoNA)”, and user libraries for the <strong>identification of unknowns</strong>.</p>
<p>NIST has an ambitious program to extend their already comprehensive, high-quality MS/MS databases. </p>
<p>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></p>
<p>This involves a very comprehensive process for <strong>selecting</strong> pertinent compounds for purchase and subsequent <strong>analyses</strong>. The problem with variability of the spectra is reduced by analyzing the samples on a <strong>variety of instruments</strong> at a <strong>variety of energy levels</strong> (20 steps). In addition, many different <strong>precursor ions</strong> and <strong>fragment ions</strong> are characterized (MSⁿ). This has already led to a very large high quality library of <strong>accurate mass MS/MS spectra in the 2020 release version</strong> (31K compounds/1.3 M spectra) and the effort is ongoing.</p>
<h3><strong>The Part III will cover:</strong></h3>
<p>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>.</p>
<ul>
<li>Introduction to Presenter, James Little</li>
<li>Table of Contents</li>
<li>Series of Talks: LCMS Unknown Identifications Using MSMS Libraries</li>
<li>Help Files for NIST Search</li>
<li>NIST Software in General is “Windows Compliant” </li>
<li>Presentation Topics</li>
<li>Program Description and My Personal Experience</li>
<li>Comparison to Standard versus Neutral Loss Spectrum</li>
<li>Hybrid Search Results for Example</li>
<li>Using DotProduct Instead of Score for Viewing Results</li>
<li>DeltaMass Table</li>
<li>Simple Examples Using Structures to Show DeltaMass</li>
<li>Viewing Peak Matching Results by Sorting in Hybrid Search Results</li>
<li>Merging Hybrid with Peak Matching Results</li>
<li>Detailed Explanation of Hybrid Head to Tail Display</li>
<li>Alternate Neutral Loss Comparison in Head to Tail Format</li>
<li>Other Things to Consider with Hybrid Search for Unknown Identification</li>
<li>Setting Up CriticalDefault Parameters for MS/MS Hybrid Search</li>
<li>Live Searching Demonstration YouTube Video</li>
<li>Acknowledgements</li>
</ul>
<h3><strong>Future parts will focus on:</strong></h3>
<ul>
<li>Part IV:   <strong>Importing MSMS Spectra</strong></li>
<li>Part V:    <strong>NIST Structure Searches</strong></li>
<li>Part VI:   <strong>MS Interpreter Correlation of Substructure to MSMS Ions</strong></li>
<li>Part VII:  <strong>Using and Creating Other MSMS Libraries</strong></li>
<li>Part VIII: <strong>Identification of Unknowns with “Spectraless” Libraries</strong></li>
</ul>


LC/MS Unknown Identifications Using MSMS Libraries Part III: More Detailed Discussion of MSMS Hybrid Search

<p><strong>In the week from March 8, 2021, the following webinars await you in the field of LC and LCMS.  More <a href="https://lcms.labrulez.com/webinars">details and registration can be found in the WEBINARS section.</a>:</strong></p>
<p><strong>Search and filter</strong> in more than <strong>600 LC and GC webinars</strong>.</p>
<h5><strong>1. Agilent Technologies: 2D or Not 2D - Agilent 2D-LC Forum</strong></h5>
<p>During this 2D-LC forum we will cover: Recent Advances in 2D-LC for Biopharmaceutical Analysis; 2D-LC: A Tutorial focusing on Best Practices - Part 1 and Part 2; Ask the Experts.</p>
<h5><strong>2. Agilent Technologies: Experts Webinar Series: Adeno Associated Viruses Characterization</strong></h5>
<p>In this webinar series, hear from mass spec experts as they pour you a cup of innovative new findings they have discovered in their field. </p>
<h5><strong>3. Agilent Technologies: Native MS and IM-MS Analyses of Large Proteins and Protein Complexes</strong></h5>
<p>We will describe simple modifications to the Agilent electrospray source to accommodate static nanoelectrospray ionization (nESI). This allow for MS and IM-MS analyses of large protein complexes (&gt;100 kDa).</p>
<h5><strong>4. Agilent Technologies/Metrohm: Haloacetic Acids Analysis by IC-TQ</strong></h5>
<p>In this webinar we will review instrumentation and method setup using a Metrohm ion chromatogram (IC) for separation and the 6470 TQ for detection. Data compliant with EPA 557 will be presented.</p>
<h5><strong>5. Agilent Technologies: Analysis of Mycotoxins in Food Matrices</strong></h5>
<p>The combination of the cleanup of matrix interferences, chromatography, and the Ultivo triple quadrupole LC/MS allows for sensitive and precise detection of mycotoxins.</p>
<h5><strong>6. Agilent Technologies: Expanded Automated Protein &amp; Peptide Sample Preparation Capabilities: New Larger Capacity Cartridges</strong></h5>
<p>This talk will provide an overview of the platform and its flex. to address a wide range of workflows, with a particular focus on the new cap. enabled by the availability of large-capacity AssayMAP cartridges.</p>


LC and LCMS webinars - Week 10

<p><strong>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.</strong> </p>
<p>I will attempt to introduce the user to the use of the <strong>NIST Version 2.4 search software</strong> employing NIST, Wiley, “crowd-sourced (MoNA)”, and user libraries for the <strong>identification of unknowns</strong>.</p>
<p>NIST has an ambitious program to extend their already comprehensive, high-quality MS/MS databases. </p>
<p>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></p>
<p>This involves a very comprehensive process for <strong>selecting</strong> pertinent compounds for purchase and subsequent <strong>analyses</strong>. The problem with variability of the spectra is reduced by analyzing the samples on a <strong>variety of instruments</strong> at a <strong>variety of energy levels</strong> (20 steps). In addition, many different <strong>precursor ions</strong> and <strong>fragment ions</strong> are characterized (MSⁿ). This has already led to a very large high quality library of <strong>accurate mass MS/MS spectra in the 2020 release version</strong> (31K compounds/1.3 M spectra) and the effort is ongoing.</p>
<h3><strong>The Part IV will cover:</strong></h3>
<p>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>.</p>
<ul>
<li>Introduction of Presenter, James Little</li>
<li>Table of Contents </li>
<li>Series Topics</li>
<li>Help Files for NIST Search</li>
<li>NIST Software in General is “Windows Compliant” </li>
<li>Abbreviations Used in Text and Useful Keyboard Sequences </li>
<li>Methods for ImportingSpectra Directlyin MSP Format to NIST</li>
<li>Mass Spec Manufactures Current Use of NIST Search</li>
<li>Example of Capability Utilized by Agilent</li>
<li>Example of Imported Agilent Spectrum</li>
<li>Example of Mult-Spectra Import of Agilent Spectra </li>
<li>Importance of Proper Settings in NIST Spectrum Import Options</li>
<li>Importing Spectra Manually Indirectlyin MSP and Other Formats </li>
<li>Exporting Spectra Manually in MSP and Other Formats </li>
<li>Example of Typical NIST Entry in *.MSP Format</li>
<li>Live YouTube Demonstration </li>
<li>References with Internet Links </li>
<li>Acknowledgements</li>
</ul>
<h3><strong>Future parts will focus on:</strong></h3>
<ul>
<li>Part V:    <strong>NIST Structure Searches</strong></li>
<li>Part VI:   <strong>MS Interpreter Correlation of Substructure to MSMS Ions</strong></li>
<li>Part VII:  <strong>Using and Creating Other MSMS Libraries</strong></li>
<li>Part VIII: <strong>Identification of Unknowns with “Spectraless” Libraries</strong></li>
</ul>


LC/MS Unknown Identifications Using MSMS Libraries Part IV: Importing MSMS Spectra

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LC/MS Unknown Identifications Using MSMS Libraries Part IV: Importing MSMS Spectra

LC and LCMS webinars - Week 10

LC/MS Unknown Identifications Using MSMS Libraries Part III: More Detailed Discussion of MSMS Hybrid Search

LC and LCMS webinars - Week 9

LC/MS Unknown Identifications Using MSMS Libraries Part II: NIST Search Software and Libraries

LC and LCMS webinars - Week 8

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

LC and LCMS webinars - Week 7

LC and LCMS webinars - Week 6

LC and LCMS webinars - February 2021

Upcoming events

12th Nordic Conference on Plasma Spectrochemistry and Ionization Principles in Mass Spectrometry

Advances in Chromatography and Electrophoresis & Chiranal 2026

Light Scattering for Complex Biologics Lunch & Learn - San Diego, CA

Webinars

Innovations and Emerging Tools in Peptide Science

DMPK: From Sample to Result

Which Detector Do You Need for GLP-1RAs? Choosing Between MALS and Mass Spec