<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 VII 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>Read This Before Utilizing Handout </li>
<li>Philosophy on Incorporating User and Commercial Libraries in Identifications</li>
<li>User Libraries Converted and Approach </li>
<li>NIST Lib2NIST Utility for Library Conversions</li>
<li>Accessing Lib2NIST Utility </li>
<li>Quality of MoNA and Converting to NIST format</li>
<li>Low Resolution (lr_) versus High Resolution MSMS NIST Libraries</li>
<li>Problems Converting and Searching User Libraries and “Work-Arounds” </li>
<li>Composition of the MoNA Libraries and Structures in MoNA GCMS Library</li>
<li>Conversion of Wiley Commercial Libraries with Lib2NIST </li>
<li>Conversion of Personal User Library with no Precursor_m/z field </li>
<li>PowerShell Script for Adding Precursor_m/z to Personal User Library</li>
<li>Creating/Adding User Library within NIST Search Program </li>
<li>What If My Imported Library Spectrum Contained No Precursor_m/z Field?</li>
<li>What IF I Need to Add Several Different Fields for a Set of Spectra? </li>
<li>“Re(Index)” Library Indices After Additions or Creating New Library </li>
<li>Automatic Distribution of Eastman Libraries Over Network</li>
<li>Live Demo on YouTubeWebinar References (Internet Links) </li>
<li>Acknowledgements</li>
</ul>
<h3><strong>Future parts will focus on:</strong></h3>
<ul>
<li>Part VIII: <strong>Identification of Unknowns with “Spectraless” Libraries</strong></li>
</ul>
<h3><strong>The past sections have focused on:</strong></h3>
<ul>
<li><p><a href="https://lcms.labrulez.com/article/1068"><strong>Part I: Overview of Software and User-Customized Configurations</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1088"><strong>Part II: NIST Search Software and Libraries</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1110"><strong>Part III: More Detailed Discussion of MSMS Hybrid Search</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1130"><strong>Part IV: Importing MSMS Spectra</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1162"><strong>Part V: NIST Structure Searches</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1221"><strong>Part VI: MS Interpreter Correlation of Substructure to MSMS Ions</strong></a></p>
</li>
</ul>


LC/MS Unknown Identifications Using MSMS Libraries Part VII: Using and Creating Other MSMS Libraries

<p><strong>In the week from May 31, 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>1 000 LC and GC webinars</strong>.</p>
<h5><strong>1. Dr. Maisch High Performance LC GmbH: Ion Exchange and Mixed-Mode HPLC in Pharma &amp; Food Analysis</strong></h5>
<p>An introduction to an easy method development of IC and HILIC/IC mode separations of charged analytes.</p>
<h5><strong>2. Waters Corporation: Meet the Experts - Part 3 - Effective Asset Management</strong></h5>
<p>During this webinar you will learn about the importance of effective asset management and the latest LC-Technology to maintain the competitive advantage.</p>
<h5><strong>3. New Food magazine/SCIEX: Solving an age-old issue in the poultry industry</strong></h5>
<p>In Ovo has developed a machine, called Ella, that is able to gender type the egg before it hatches. The machine uses mass spectrometry to achieve the high throughput.</p>
<h5><strong>4. SelectScience/Phenomenex: Improving the sensitivity of LC-MS methods for characterization and quantitation of synthetic oligonucleotides</strong></h5>
<p>In this presentation, Brian Rivera from Phenomenex will discuss how LC-MS sensitivity can be increased by mobile phase optimization and column selection. </p>
<h5><strong>5. Agilent Technologies: Mitigating the Risk of Extractables &amp; Leachables Analysis - Regulatory Updates &amp; Analytical Workflow Strategies</strong></h5>
<p>In this webinar our experts will discuss current regulatory updates, holistic and comprehensive analytical workflow strategies for quick scouting, profiling &amp; quantification of wide spectrum E&amp;L impurities.</p>
<h5><strong>6. Thermo Fisher Scientific: Improving Energy Laboratory Productivity through Pre-configured Software Solutions</strong></h5>
<p>Webinar describing how optimizing downstream processes, with SampleManager LIMS software Refinery Solution, can increase refinery laboratory productivity.</p>
<h5><strong>7. Agilent Technologies: Basics of LC/TQ Operation</strong></h5>
<p>This presentation will cover the basics of TQ hardware, discuss the different scan types available and the advantages of each mode of operation.</p>
<h5><strong>8. SelectScience/Waters Corporation: Optimize IP-RP method development for oligonucleotide analysis</strong></h5>
<p>In this webinar, hear from principal scientist Dr. Brook Koshel as she discusses method development considerations when selecting an appropriate ion-pairing agent.</p>


LC and LCMS webinars - Week 22

<p><strong>In the week from June 7, 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>1 000 LC and GC webinars</strong>.</p>
<h5><strong>1. Thermo Fisher Scientific: Back to basics – principles of HPLC</strong></h5>
<p>A basic introduction and overview of HPLC and the fundamental theories covering the following topics: What is HPLC? How a HPLC works. Basic theory of separation. Introduction to column chemistry.</p>
<h5><strong>2. Separation Science/Biotage: LESS IS MORE - Microelution Extraction for High Throughput Bioanalytical Workflows</strong></h5>
<p>This webinar will present two microelution SPE applications: the manual extraction of a panel of steroids, and the extraction of a 50 analyte drug panel from urine using an automated platform.</p>
<h5><strong>3. Thermo Fisher Scientific: Life isn’t all C18 – retaining tricky compounds</strong></h5>
<p>Looking at the alternatives to the standard approach of using C18 based phase. An opportunity more about some of the more unique column phases and how to optimize your chromatography.</p>
<h5><strong>4. Waters Corporation: Introducing The Next Generation of High Resolution Mass Spectrometry</strong></h5>
<p>Join the Waters Advanced MS team for this live event to discover how you can advance your research with next generation Tof technology.</p>
<h5><strong>5. Waters Corporation: Creating a robust and sustainable QA program to deliver more confidence</strong></h5>
<p>This webinar describes the role of certified reference materials and proficiency testing products in supporting your data validation and competency documentation processes. ​</p>
<h5><strong>6. Thermo Fisher Scientific: Know your UV from your charged aerosol detectors</strong></h5>
<p>An introduction to the principles of various HPLC detectors such as UV, fluorescence, charged aerosol detection. Also a basic introduction to mass spectrometry for chromatographers.</p>
<h5><strong>7. Agilent Technologies: 2DLC-MS Applicability for the Characterization of Adeno-Associated Viruses</strong></h5>
<p>This webinar will describe the applicability of 2D-LC coupled with Mass Spectrometry (MS) to automate the two orthogonal techniques of IEX and LC-MS in the characterization of Empty and Full AAV Capsids.</p>
<h5><strong>8. Thermo Fisher Scientific: Getting the most out of your HPLC – method development and transfer</strong></h5>
<p>The first part of the session will be focused on looking at method development. The second part of the session will be focused on method transfer.</p>
<h5><strong>9. Waters Corporation: Advancing Research with the SARS-CoV-2 LC-MS Kit (RUO)</strong></h5>
<p>The SARS-CoV-2 LC-MS Kit (RUO) allows for the quantification of viral proteins to be used alongside infection biomarkers to enable investigation of the impacts of the virus in longitudinal research studies.</p>
<h5><strong>10. Thermo Fisher Scientific: How to keep your HPLC healthy 24/7</strong></h5>
<p>Tips and tricks for keeping your HPLC healthy (best practices). How to successfully troubleshoot issues with both your HPLC and methodology. What maintenance should be carried on your HPLC and when.</p>


LC and LCMS webinars - Week 23

<p><strong>In the week from June 14, 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>1 000 LC and GC webinars</strong>.</p>
<h5><strong>1. Agilent Technologies: It’s Not All About the Column: The Role of the Mobile Phase and Your Instrument</strong></h5>
<p>In this presentation, we’ll look at how our mobile phase components help us get the best separation possible. We will look more closely at what makes up our aqueous component as well as our choice of organic.</p>
<h5><strong>2. Waters Corporation: Clinical Diagnostics Virtual Summit - Day 1: CLINICAL WORKFLOW</strong></h5>
<p>Life is hard. Make routine diagnostics simple with LC-MS.</p>
<h5><strong>3. SelectScience/MOBILion Systems: Revealing What Others Leave Unseen: The Future of Ion Mobility Has Arrived</strong></h5>
<p>Join us for the virtual product launch of MOBILion’s HRIM-MS platform featuring presentations by early adopters and beta users of this best in class separations technology.</p>
<h5><strong>4. Thermo Fisher Scientific: A Detailed Look at Antibodies, Plasma Proteins, Viruses and Gene-Delivery Vehicles by High-Resolution Native Mass Spectrometry</strong></h5>
<p>Professor Albert Heck will describe Orbitrap-based single particle charge detection MS, and how that can be used to assess the quality and purity of this next generation of biopharmaceutical products.</p>
<h5><strong>5. Agilent Technologies: Basics of LC/QTOF Operation - Part 1</strong></h5>
<p>The first part will focus on the proper setup of the QTOF and LC system, a review on how to properly make up fresh tuning solution, and an explanation of how to properly tune and calibrate the QTOF system.</p>
<h5><strong>6. Waters Corporation: Clinical Diagnostics Virtual Summit - Day 2: QUANTITATIVE ANALYSIS METHODS</strong></h5>
<p>Life is hard. Make routine diagnostics simple with LC-MS.</p>
<h5><strong>7. SelectScience/Waters Corporation: A new era of chromatography: Improve your accuracy, sensitivity and precision with redefined HPLC/UHPLC system technologies</strong></h5>
<p>Join chromatography experts from Waters as they introduce a new HPLC/UHPLC that is designed to help dramatically improve your data quality and increase chromatographic reproducibility and sample throughput.</p>
<h5><strong>8. Thermo Fisher Scientific: Food Authenticity Testing using High-Resolution Accurate-Mass Orbitrap GC-MS and Thermo Scientific Compound Discoverer Software</strong></h5>
<p>In this demonstration, we will show how easy it is to set up the system and software, perform EI and CI data analysis, and tune and mass calibrate the system.</p>
<h5><strong>9. Agilent Technologies: Simple Derivatization and Reversed Phase LCMS of Carbohydrates</strong></h5>
<p>We will review several modifications of oligosaccharides and their advantages and disadvantages. A simple method for the modification (Acylation) and labeling of oligosaccharides for RP LCMS will be described.</p>
<h5><strong>10. Phenomenex: Assessing A Fast Sample Preparation Process For Synthetic Oligonucleotides From Biological Matrices</strong></h5>
<p>In this webinar we will cover: Oligonucleotides Purification from Biological Fluids and Tissue Samples and also Troubleshooting Guidelines.</p>
<h5><strong>11. Waters Corporation: Demo Lab - Waters&#39; ACQUITY™ Premier Solution</strong></h5>
<p>Stop looking, start seeing and visit our Demo Lab!</p>
<h5><strong>12. Waters Corporation: GC-MS/MS multi-residue method: Using APGC for baby food analysis</strong></h5>
<p>Join us for our free Pesticide Thursdays webinar series and learn more on Waters turn-key solutions developed to tackle pesticide residues in or on food and feed.</p>
<h5><strong>13. Waters Corporation: Clinical Diagnostics Virtual Summit - Day 3: INBORN ERRORS OF METABOLISM and ENDOCRINOLOGY</strong></h5>
<p>Life is hard. Make routine diagnostics simple with LC-MS.</p>
<h5><strong>14. SCIEX: An exclusive product launch event showcasing the latest accurate mass technology from SCIEX</strong></h5>
<p>Get a first look at the new system and its extraordinary MS/MS data.</p>
<h5><strong>15. C&amp;EN/Agilent Technologies: Augmented Reality as a Complement When In-Lab Is Not Possible</strong></h5>
<p>In our Chromatography and Spectroscopy courses we are using augmented reality to show the inner workings of the instrumentation. This dispels the black box aspect that modern equipment has.</p>
<h5><strong>16. Thermo Fisher Scientific: HPLC reproducibility and what will kill it</strong></h5>
<p>In this presentation, we will explore various factors which will cause irreproducibility in your HPLC results, and how to identify and resolve them. </p>
<h5><strong>17. SelectScience/Phenomenex: Validating an expanded list of PFAS compounds from C4-C18 chain length</strong></h5>
<p>In this webinar, we will demonstrate the use of a dual, stacked WAX/GCB SPE method that uses a single step for C4-C18 PFAS compounds from waste-, surface- and groundwater extracts followed by LC-MS/MS.</p>
<h5><strong>18. Agilent Technologies: Basics of LC/QTOF Operation - Part 2</strong></h5>
<p>In this in-depth webinar we focus on optimizing source and acquisition conditions to setup the QTOF for small and large molecule applications.</p>


LC and LCMS webinars - Week 24

<p><strong>In the week from June 21, 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>1 000 LC and GC webinars</strong>.</p>
<h5><strong>1. SelectScience/Agilent Technologies: LC/MS to reveal the hidden post-translational modifications in neurodegeneration</strong></h5>
<p>Dr. Blaine Roberts, discusses the application of quantitative proteomics to a large set of cerebral spinal fluid (CSF) samples to better understand the role of acute-phase proteins in Alzheimer’s disease.</p>
<h5><strong>2. Bruker Daltonics: Determination of mycotoxins with TQ like sensitivity on QTOF with VIP-HESI ion source</strong></h5>
<p>Triple quad-like sensitivity combined with QTOF resolution; a winning combination.</p>
<h5><strong>3. Waters Corporation: Chromatography Declassified: Uncovering the Secrets of Method Robustness Part 2</strong></h5>
<p>Setting your LC and MS systems up for daily success. Everyday habits for achieving consistent chromatographic results. System Suitability in Empower and your morning routine.</p>
<h5><strong>4. Agilent Technologies: Agilent InfinityLab LC Virtual Conference - Day 1</strong></h5>
<p>Don’t miss this opportunity to attend the virtual Agilent InfinityLab LC conference, organized with the help of academic, industrial and governmental leaders in separation science.</p>
<h5><strong>5. Waters Corporation: Our favorite productivity tools for staying ahead in LC-MS/MS food testing workflows</strong></h5>
<p>Discover timesaving software tools and build your awareness of instrument capabilities that help eliminate manual and costly procedures in setting up and running quantitative MS analyses.</p>
<h5><strong>6. Thermo Fisher Scientific: Advancement of Analytical Technology for Oligonucleotide Analysis Using High-Resolution Accurate-Mass Mass Spectrometry</strong></h5>
<p>In this webinar, we will present the latest development of high-resolution accurate-mass (HRAM) based LC-MS methods for oligonucleotide and RNA analysis.</p>
<h5><strong>7. Waters Corporation: Medical Device Webinar Series Part 1: Achieving Successful Chemical Characterization of Medical Devices</strong></h5>
<p>The presentation will cover the key areas of the guidance as well as some of the challenges in achieving a successful study.</p>
<h5><strong>8. Agilent Technologies: Agilent InfinityLab LC Virtual Conference - Day 2</strong></h5>
<h5><strong>9. Waters Corporation: Meet the Experts - Part 4 - Access Accurate Mass with a SmartMS Enabled Mass Detector for Forced Degradation Studies</strong></h5>
<p>Chris Henry will be showcasing the ease of use of the Acquity RDa in relation to forced degradation. Forced degradation studies are vital for developing a new small molecule drug. </p>
<h5><strong>10. Waters Corporation: Routine and Robust Peptide Separations Workshop</strong></h5>
<p>This workshop intends to provide clarity about how new MaxPeak high performance surface columns and instrument technologies can positively impact your current workflows.</p>
<h5><strong>11. Agilent Technologies: Keeping Pace with COVID-19 Virtual Symposium</strong></h5>
<p>COVID-19 research and testing methods are evolving every day. Join us for an interactive live event to hear the latest on what leading researchers and labs are doing to keep pace.</p>
<h5><strong>12. VWR/Avantor: Instrumentation Mini Symposium: Latest Updates in Preparative Chromatography &amp; Amino Acid Analysis</strong></h5>
<p>In the latest of our chromatography series, we take a look at the applications and novel approaches relating to instrumentation with a double-header.</p>
<h5><strong>13. Waters Corporation: Vaccines &amp; Clinical Science Through the Lens of COVID-19</strong></h5>
<p>Explore how to apply lessons learned from the global COVID-19 pandemic to pave the way for new approaches to vaccine development, therapeutics and clinical science. </p>
<h5><strong>14. Evosep Biosystems: Plasma Proteomics with the Evosep One</strong></h5>
<p>In this webinar we will showcase how the Evosep One, with high reproducibility and robustness, is ideally suited for analysis of large sample cohorts of blood plasma.</p>
<h5><strong>15. Technology Networks: The Science of Cannabis Extraction 2021</strong></h5>
<p>Returning for the third year in a row, The Science of Cannabis Extraction 2021 will bring together extraction experts to discuss the hottest topics in cannabis and hemp extraction.</p>


LC and LCMS webinars - Week 25

<p><strong>In the week from June 28, 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>1 000 LC and GC webinars</strong>.</p>
<h5><strong>1. Agilent Technologies/GERSTEL/Air Products: Latest Analytical Trends and Developments in the Food and Oleochemical Industries</strong></h5>
<p>We will share the latest regulations governing the palm oil industry in Malaysia and the latest analytical methods and solutions on contaminants such as 3 MCPD as well as MOSH/MOAH monitoring.</p>
<h5><strong>2. Waters Corporation: Part 1: Meet the #ConnectedLaboratory - automation at your fingertips</strong></h5>
<p>We will take you on a journey to Onelab, the central system of the #ConnectedLaboratory and show you how intuitive protocol design and execution is as well as share a brief automation portfolio overview. </p>
<h5><strong>3. SCIEX: High-throughput screening symposium - Day 1</strong></h5>
<p>This is your chance to hear first-hand from industry leaders who are revolutionizing high-throughput quantitative analysis using Acoustic Ejection Mass Spectrometry (AEMS).</p>
<h5><strong>4. Plasmion: New Routes in Quality Control of Food - Data-driven Odor Analysis with SICRIT</strong></h5>
<p>In this live webinar, we will show examples how SICRIT® sensor technology provides a solution for objective data-driven odor and VOC analysis.</p>
<h5><strong>5. Thermo Fisher Scientific: Automated workflow for mRNA sequencing by High Resolution LCMS</strong></h5>
<p>In this webinar we will discuss the use of an automated workflow which includes enzymatic digestion, high resolution LCMS analysis, and data analysis for mRNA sequencing.</p>
<h5><strong>6. Thermo Fisher Scientific: Determination of Dimethylamine and Nitrite in Pharmaceuticals by Ion Chromatography to Assess the Likelihood of Nitrosamine Formation</strong></h5>
<p>The developed methods should be useful for the rapid screening and quantification of nitrite and DMA in pharmaceuticals and in-process sample to assess the likelihood of NDMA formation.</p>
<h5><strong>7. SCIEX: High-throughput screening symposium - Day 2</strong></h5>
<p>This is your chance to hear first-hand from industry leaders who are revolutionizing high-throughput quantitative analysis using Acoustic Ejection Mass Spectrometry (AEMS).</p>
<h5><strong>8. SelectScience/Phenomenex: The power of (U)HPLC selectivity for diverse pharmaceutical methods</strong></h5>
<p>With so much attention paid over the years to column efficiency, it is important not forget about the power of selectivity. </p>
<h5><strong>9. Technology Networks/Agilent Technologies/Bruker Daltonics/SCIEX/CTC Analytics/MERCK/Thermo Fisher Scientific: Advances in Proteomics &amp; Metabolomics 2021</strong></h5>
<p>This event features a collection of exclusive talks from leading scientists in the field, discussing their research and lending insights on the advances and challenges in this exciting space.</p>


LC and LCMS webinars - Week 26

<p><strong>In the week from July 5, 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>1 000 LC and GC webinars</strong>.</p>
<h5><strong>1. Agilent Technologies: High Resolution Size Exclusion Chromatography (SEC) Analysis of Intact Protein Biotherapeutics</strong></h5>
<p>This presentation will highlight comprehensive workflows for the analytical characterization of proteins using SEC, ProA-SEC 2D-LC and SEC-MS.</p>
<h5><strong>2. Agilent Technologies: Virtual Total Agilent Experience 2021 - Day 1</strong></h5>
<ul>
<li>Improve efficiency &amp; reduce compliance risks with a digital lab ecosystem</li>
</ul>
<p>The symposium will feature innovative analytical technologies, expert talks on emerging trends in food, pharma and biopharma industries, and 1-to-1 interactions with our technical team.</p>
<h5><strong>3. Thermo Fisher Scientific: Drugs of Abuse Automated Screening vs Manual Testing: What are the Benefits?</strong></h5>
<p>In this webinar, learn all about the trends of the Drugs of Abuse as a global problem and the essential factors to consider when starting Drugs of Abuse Testing.</p>
<h5><strong>4. Agilent Technologies: Robustness and Ruggedness studies in Method development – Insights and Regulations</strong></h5>
<p>Being a reliable partner for your lab, we endeavor to continue providing you ROBUST analytical power to deliver HIGH EFFICIENCY to enhance your PRODUCTIVITY &amp; PROFITABILITY.</p>
<h5><strong>5. Agilent Technologies: Virtual Total Agilent Experience 2021 - Day 2</strong></h5>
<ul>
<li>Sample Cleanup for Food Matrices</li>
<li>Modernization of Compendial Methods</li>
</ul>
<h5><strong>6. SelectScience/Thermo Fisher Scientific: The journey to a digitally transformed laboratory</strong></h5>
<p>Across all scientific industries, organizations are looking at their digital transformation journey and trying to map out the key strategies to achieving a fully digitally enabled laboratory. </p>
<h5><strong>7. Agilent Technologies: Virtual Total Agilent Experience 2021 - Day 3</strong></h5>
<ul>
<li>Vitamin and Amino Acid analysis for nutritional labelling</li>
<li>Digital compliance solutions and offerings</li>
<li>Secure your LC/TOF and LC/QTOF data: Compliance features for LC/TOF and LC/QTOF systems</li>
<li>The Intelligent &amp; Intuitive LCMS -MSD iQ</li>
</ul>
<h5><strong>8. Agilent Technologies: Automated Compliance Engine (ACE) to achieve Regulatory Compliance and Data Integrity</strong></h5>
<p>Being a reliable partner for your lab, we endeavor to continue providing you ROBUST analytical power to deliver HIGH EFFICIENCY to enhance your PRODUCTIVITY &amp; PROFITABILITY.</p>


LC and LCMS webinars - Week 27

<p><strong>In the week from July 12, 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>1 000 LC and GC webinars</strong>.</p>
<h5><strong>1. SelectScience/Agilent Technologies: LC-MS/MS: The key to analyzing PFAS in milk, infant formula, and related food ingredients</strong></h5>
<p>This webinar will reveal how LC-MS/MS instrumentation can be applied for the determination of challenging matrices, such as milk and infant formula.</p>
<h5><strong>2. Separation Science/Waters Corporation/Avantor: What It Takes to Achieve a Good Chromatography – Selecting the Right Column Chemistries and Mobile Phase</strong></h5>
<p>Column attributes and how to gain a better understanding of how best to select a column for a specific application and the importance of mobile phase selection in the separation process.</p>
<h5><strong>3. Waters Corporation: Part 2: Meet the #ConnectedLaboratory - how can you and your lab benefit from Pipette+</strong></h5>
<p>Find out how connected electronic pipettes can help any lab to reduce bench workload, minimize execution errors or provide full experimental traceability.</p>
<h5><strong>4. Bruker Daltonics: Benefits of Trapped Ion Mobility Mass spectrometry (TIMS) for metabolite identification with Mass-MetaSite data processing</strong></h5>
<p>Join this webinar to see how Trapped Ion Mobility Mass Spectrometry (TIMS) provides unbiased selectivity and sensitivity for metabolite identification.</p>
<h5><strong>5. Technology Networks/Agilent Technologies/SCIEX/ACD/Lab: Innovations In Mass Spectrometry: Exploring the Latest Advances</strong></h5>
<p>Join us for our extended webinar to hear about the most recent and innovative developments in the world of mass spectrometry and how they are helping to drive science forward.</p>
<h5><strong>6. Phenomenex: HPLC Troubleshooting — Identifying, Solving and Avoiding Problems</strong></h5>
<p>We will cover general chromatographic problems and overview of some possible troubleshooting approaches, diagnostic tools and different peak related problems and how to resolve.</p>
<h5><strong>7. C&amp;EN/MAC-MOD Analytical: HILIC Analysis for Polar Modifications of mAbs</strong></h5>
<p>Examples of glycosylation, deamidation, and oxidation of different mAbs will be demonstrated using LCMS under HILIC conditions.</p>
<h5><strong>8. Agilent Technologies: Enhance Your Lab Productivity School Series III - LC-MS Basic</strong></h5>
<p>We invite you to join us for webinar on Enhance Your Lab Productivity School Series III - LC-MS Basic.</p>
<h5><strong>9. Waters Corporation: Meet the Experts - Part 5 - Developing a robust and sensitive method for determining Nitrosamines during drug development</strong></h5>
<p>During this webinar you will receive information on choosing the correct system with respect to flexibility and sensitivity. </p>
<h5><strong>10. Shimadzu Corporation: Shimadzu UFMS: Fast and Reliable Solution for Residual Pesticide Analysis</strong></h5>
<p>Join us for this webinar to learn more about Shimadzu’s cutting-edge TQ Solutions for pesticide analysis.</p>
<h5><strong>11. Waters Corporation: Medical Device Webinar Series Part 2: Applying Data Integrity and 21CFR Part 11 on Complex Analytical Systems</strong></h5>
<p>An overview of data integrity and 21 CFR Part 11 compliance will be provided.</p>
<h5><strong>12. Agilent Technologies: Accurate Quantitation of Carotenoids and Fat-Soluble Vitamins in Food and Supplements by LC-MS/MS</strong></h5>
<p>An LC-MS/MS method was developed for the simultaneous determination of fat-soluble vitamins and carotenoids using an 1290 Infinity II LC coupled to an 6470 QQQ LC/MS system in positive ionization mode.</p>
<h5><strong>13. Agilent Technologies: Enhance Your Lab Productivity School Series III - Advanced Chapter</strong></h5>
<p>We invite you to join us for webinar on Enhance Your Lab Productivity School Series III - Advanced Chapter </p>
<h5><strong>14. Thermo Fisher Scientific: Tox Explorer Collection for toxicological target screening</strong></h5>
<p>A complete solution for toxicological target screening of more than 1500 analytes in different biological matrices leveraging Orbitrap technology for confident identification based on five different parameters.</p>
<h5><strong>15. Thermo Fisher Scientific: Emerging LC-MS Techniques to Characterize AAV at the Subunit and Intact Levels</strong></h5>
<p>In this presentation, scientists from Regeneron are going to discuss two emerging LC-MS based methods for characterization of AAV capsids under both denatured and near native states.</p>
<h5><strong>16. Technology Networks/Bruker Daltonics/SCIEX/Thermo Fisher Scientific: Advances in Food &amp; Beverage Analysis 2021</strong></h5>
<p>The inaugural Advances in Food &amp; Beverage Analysis 2021 is a free to attend online symposium that will showcase the latest advances in food quality and safety testing.</p>
<h5><strong>17. C&amp;EN/Avantor: Getting the Best Out of Solid-Core Technology for Small and Large Molecule Analysis</strong></h5>
<p>This presentation will begin by reviewing some of the fundamental benefits of solid core technology, before quickly moving onto how to best utilise the new technology.</p>
<h5><strong>18. Agilent Technologies: Experts Webinar Series: Small Molecule Pharma</strong></h5>
<p>2D-LC-Q-TOF in the Structural Elucidation of Small Molecular Impurities during the Analysis of Active Pharmaceutical Ingredients + Algorithms and Workflows for Identification of Impurities and Metabolites</p>


LC and LCMS webinars - Week 28

<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 VIII 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>Introduction to Approach</li>
<li>Origin of Term “Known Unknowns”</li>
<li>Overall Process Including NIST Library Searches of EI and Tandem Spectra</li>
<li>ChemSpider Internet Searches</li>
<li>CAS Registry Using SciFinder and STN Express</li>
<li>Summary Comparing ChemSpider and CAS Registry Approaches</li>
<li>Example 1:  SciFinder Search of CAS Registry for UV Additive in Polymer</li>
<li>Example 2:  SciFinder Search of CAS Registry for More Obscure Compound</li>
<li>Example 3:  ChemSpider Identification of Additive in Polymer by Monoisotopic Mass</li>
<li>Live Demo YouTube Presentation</li>
<li>Presentation References (Internet Links)</li>
<li>Acknowledgements</li>
</ul>
<h3><strong>The past sections have focused on:</strong></h3>
<ul>
<li><p><a href="https://lcms.labrulez.com/article/1068"><strong>Part I: Overview of Software and User-Customized Configurations</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1088"><strong>Part II: NIST Search Software and Libraries</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1110"><strong>Part III: More Detailed Discussion of MSMS Hybrid Search</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1130"><strong>Part IV: Importing MSMS Spectra</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1162"><strong>Part V: NIST Structure Searches</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1221"><strong>Part VI: MS Interpreter Correlation of Substructure to MSMS Ions</strong></a></p>
</li>
<li><p><a href="https://lcms.labrulez.com/article/1367"><strong>Part VII: Using and Creating Other MSMS Libraries</strong></a></p>
</li>
</ul>


LC/MS Unknown Identifications Using MSMS Libraries Part VIII: Identification of Unknowns with “Spectraless” Libraries

<p><strong>In the week from July 19, 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>1 000 LC and GC webinars</strong>.</p>
<h5><strong>1. Phenomenex: Core shell Performance and Phase Selectivity</strong></h5>
<p>The Core-Shell Performance Advantage. Significance of different Stationary Phase. Applications and Examples.</p>
<h5><strong>2. Phenomenex: How to do a Successful SPE Method Development &amp; Optimization</strong></h5>
<p>What to be considered? Various phases of SPE. How to run a successful SPE method. Optimizing the methods after development.</p>
<h5><strong>3. Thermo Fisher Scientific: Polar pesticides in Food: State of the Art with IC/MSMS</strong></h5>
<p>In this webinar we will present an overview of the ion chromatography (IC) solutions for polar analysis in food matrices using Mass Spectrometry.</p>
<h5><strong>4. SCION Instruments: Compass CDS: Plugins</strong></h5>
<p>In this webinar John MacKenzie reviews and demonstrates some of the Compass CDS Plugins. This is one of the strengths of the Compass, as it makes it an easier and more versatile product.</p>
<h5><strong>5. Waters Corporation: Drug Testing by LC-MS: Immunosuppressants and Antifungals</strong></h5>
<p>Topic 1: Analysis of Plasma Mycophenolic Acid for Clinical Research and Topic 2: UPLC-MS/MS Analysis of Azole Antifungals in Serum for Clinical Research.</p>
<h5><strong>6. Thermo Fisher Scientific: Highly Sensitive and Robust LC-MS/MS Solutions for Quantitation of Nitrosamine Impurities in Metformin Drug Products</strong></h5>
<p>Herein, we described LC-SRM-MS method developed using the Vanquish Horizon UHPLC coupled to a TSQ Quantis for the detection and quantitation of 10 nitrosamines in metformin drug products.</p>
<h5><strong>7. Waters Corporation: Power up your Productivity through Automation</strong></h5>
<p>This Webinar will introduce the Andrew+ Robot and OneLab Software for the preparation of standards and samples. </p>
<h5><strong>8. Technology Networks/SCIEX: Identifying Oligonucleotide Impurities and Metabolites With High-Resolution Mass Spectrometry</strong></h5>
<p>In this webinar, a novel LC-MS/MS Q-TOF instrument (ZenoTOF 7600 system, SCIEX) equipped with a patented ion trap will be applied to the acquisition of highly modified oligonucleotides.</p>
<h5><strong>9. Waters Corporation: Drug Testing by LC-MS: Oncology and Anti-Epileptic Drugs</strong></h5>
<p>Topic 1: Analysis of Methotrexate, Busulfan and 5FU from Plasma and Serum for Clinical Research and Topic 2: Rapid Analysis of Panels of Anti-Epileptic Drugs (AEDs) for Clinical Research. </p>
<h5><strong>10. Waters Corporation: Multi Reflecting Time-of-Flight Technology and its implications for the future of HRMS</strong></h5>
<p>We will cover the fundamentals of multi reflecting Time-of-Flight (MRT) and address the most asked questions since launch!</p>
<h5><strong>11. SelectScience/Thermo Fisher Scientific: Launch your lab into the future with automated LC-MS/MS</strong></h5>
<p>In this two-part webinar, hear from clinical chemistry experts Dr. Andrew Davison and Dr. Rachel Carling on why LC-MS/MS is needed to advance clinical laboratory medicine.</p>
<h5><strong>12. Agilent Technologies: High-throughput LC-MS analysis to systematically map gut microbiome drug metabolism</strong></h5>
<p>Our webinar on July 21st looks at how we can use high-throughput LC-MS analysis to systematically map the drug metabolizing capacity of the gut microbiota.</p>
<h5><strong>13. Waters Corporation: Nitrosamine Analysis (NDMA &amp; NDEA) in Raw Materials/Excipients and Finished Product by UPLC-QDa</strong></h5>
<p>We will discuss manufacturing processes to reduce impurity presence as far as possible, as well as laboratory analysis of incoming raw materials and finished product.</p>
<h5><strong>14. Waters Corporation: Persistent and mobile organic chemicals in the aquatic environment: Occurrence and analytical challenges</strong></h5>
<p>This presentation will focus on SFC by (i) highlighting methodical challenges and advantages (ii) will present several applications of SFC for analysis of PM(T) substances in environmental water samples.</p>
<h5><strong>15. SelectScience/Thermo Fisher Scientific: How to enhance productivity with an integrated compliance-ready software platform for analyses requiring chromatographic and mass spectrometric analysis</strong></h5>
<p>In this webinar Dr. Dan Bach Kristensen shares examples of how to boost productivity by using the right LC-MS software to streamline analytical workflows and enable the use of MS as a routine detector.</p>
<h5><strong>16. Agilent Technologies: Pesticides screening methodology in different food matrices using the LC/Q-TOF and MassHunter Screener Tool</strong></h5>
<p>Being a reliable partner for your lab, we endeavor to continue providing you ROBUST analytical power to deliver HIGH EFFICIENCY to enhance your PRODUCTIVITY &amp; PROFITABILITY.</p>


LC and LCMS webinars - Week 29

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LC and LCMS webinars - Week 29

LC/MS Unknown Identifications Using MSMS Libraries Part VIII: Identification of Unknowns with “Spectraless” Libraries

LC and LCMS webinars - Week 28

LC and LCMS webinars - Week 27

LC and LCMS webinars - Week 26

LC and LCMS webinars - Week 25

LC and LCMS webinars - Week 24

LC and LCMS webinars - Week 23

LC and LCMS webinars - Week 22

LC/MS Unknown Identifications Using MSMS Libraries Part VII: Using and Creating Other MSMS Libraries

Upcoming events

36th MassSpec Forum Vienna 2026

Analytical Strategies for Peptide & Protein Therapeutics

Advance Your SEC Knowledge Scientific Hands-on Workshop

Webinars

Understanding and Applying USP Chapter 621 for Generic Pharmaceutical Applications

Genome integrity analysis of adeno-associated viruses (AAV) by genome sizing methodology using SCIEX capillary electrophoresis system

The Gold Standard: Achieving Optimal Peptide Purification with Reversed-Phase Chromatography