<h3><strong>Keep Your NIST Workspace Clean by Managing HLM History Files</strong></h3><p><strong>When performing library searches in NIST MS Search Version 4 (NIST 26), whether for EI GC-MS or MS/MS LC-MS data, the software automatically generates several temporary files to store search results and search history. These files make it easy to revisit previous library searches without repeating the analysis, but over time they can accumulate, clutter the workspace, and consume unnecessary disk space.</strong></p><p>This guide explains how NIST stores library search history, what <strong>HLM files</strong> are used for, and how to remove them manually or automatically to keep your software organized.</p><blockquote><p class="cke-user_style-important"><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/clean_up_workspace_hlm_files_2eef9909c8.pdf"><strong>You can download PDF Handout for this guide HERE</strong></a></p></blockquote><h4><strong>Temporary Files Are Created for Both EI and MS/MS Searches</strong></h4><p>Although the examples in the demonstration use an <strong>MS/MS chromatogram</strong>, the workflow is identical for <strong>EI GC-MS</strong> library searching.</p><p>Every time spectra are submitted to the NIST library search engine, the software creates temporary files that preserve the search history. Regardless of the acquisition technique, the same housekeeping procedures apply.</p><h4><strong>Running a Library Search</strong></h4><p>To perform a library search on multiple spectra:</p><ol><li>Open the chromatogram in NIST MS Search.</li><li>Select the spectra to search.<ul><li>Click the first spectrum.</li><li>Hold the <strong>Shift</strong> key.</li><li>Click the last spectrum to select the entire range.</li></ul></li><li>Right-click the selected spectra.</li><li>Choose <strong>Library Search</strong>.</li></ol><p>The software processes each selected spectrum and displays the search results. Depending on the number of spectra, the search typically requires only <strong>10–15 seconds</strong>.</p><h4><strong>Reviewing Previous Search Results</strong></h4><p>After the search is complete, NIST automatically saves every search result as part of its history.</p><p>Normally, selecting a result displays:</p><ul><li>The <strong>unknown spectrum</strong> at the top.</li><li>The <strong>best library match</strong> underneath.</li></ul><p>Because every search is stored, users can return to any previous search result without repeating the library search. Simply selecting an earlier entry in the history list immediately restores the corresponding comparison.</p><p>Although many users simply perform a new search because it is very fast, the history feature can be useful when reviewing previous identifications or comparing earlier results.</p><h4><strong>What Are HLM Files?</strong></h4><p>Search history is stored in files known as <strong>HLM files</strong>.</p><p>These files are created automatically within the main <strong>NIST MS Search installation directory</strong> whenever library searches are performed.</p><p>As routine data processing continues, the number of HLM files gradually increases.</p><p>While these files are relatively small, they can eventually accumulate and make the software workspace more difficult to navigate.</p><h4><strong>Manually Clearing Search History</strong></h4><p>Once library searching has been completed, there is usually little reason to retain every temporary history file.</p><p>To remove the stored search history:</p><ol><li>Open the search history window.</li><li>Click <strong>Clear History</strong>.</li><li>Confirm the deletion.</li></ol><p>The HLM history files are removed, leaving the workspace clean for future analyses.</p><p>This simple housekeeping step helps reduce unnecessary file accumulation.</p><h4><strong>Automatically Delete History on Exit</strong></h4><p>Users who prefer not to manage history manually can configure NIST MS Search to automatically remove temporary history every time the program closes.</p><p>To enable this option:</p><ol><li>Right-click inside the search results window.</li><li>Select <strong>Properties</strong>.</li><li>Open the <strong>Hit List</strong> settings.</li><li>Enable <strong>Clear History on Exit</strong>.</li><li>Click <strong>OK</strong>.</li></ol><p>If desired, these settings can be saved as part of the software configuration.</p><p>Once enabled, NIST automatically deletes history files whenever the application closes, eliminating the need for manual cleanup.</p><h4><strong>Cleaning the Spectrum List</strong></h4><p>In addition to HLM history files, the temporary spectra that were submitted for searching also remain in the spectrum list.</p><p>Removing these entries helps keep the workspace organized.</p><p>To clear the temporary spectra:</p><ol><li>Select the first spectrum.</li><li>Hold the <strong>Shift</strong> key.</li><li>Select the last spectrum.</li><li>Choose <strong>Cut</strong>.</li></ol><p>This removes the temporary entries from the workspace without affecting the original analytical data.</p><h4><strong>Benefits of Regular Housekeeping</strong></h4><p>Although the generated files are temporary, periodically cleaning them provides several advantages:</p><ul><li>Reduces clutter within the NIST interface.</li><li>Makes navigating the spectrum list easier.</li><li>Prevents accumulation of unnecessary HLM history files.</li><li>Saves a small amount of hard drive space.</li><li>Keeps the workspace organized for future analyses.</li></ul><p>For users who process large numbers of samples every day, enabling <strong>Clear History on Exit</strong> is often the simplest solution.</p><h4><strong>Best Practices</strong></h4><p>To maintain an organized NIST MS Search workspace:</p><ul><li>Use the search history when you need to revisit previous library matches.</li><li>Delete HLM history files after completing an analysis if they are no longer needed.</li><li>Enable <strong>Clear History on Exit</strong> to automate housekeeping.</li><li>Remove temporary spectra from the spectrum list after searching.</li><li>Periodically review your workspace to avoid unnecessary accumulation of temporary files.</li></ul><h4><strong>Conclusion</strong></h4><p>NIST MS Search automatically creates <strong>HLM history files</strong> and temporary spectrum entries during every EI or MS/MS library search. While these files provide a convenient way to review previous search results, they are generally not needed once an analysis is complete. By clearing history manually—or enabling automatic deletion on program exit—you can maintain a cleaner workspace, simplify navigation, and prevent unnecessary file accumulation without affecting your original analytical data.</p>

Lib Search: Cleaning Up Workspace and Temporary HLM Files in NIST26clean up

<h3><a target="_blank" rel="noopener noreferrer" href="https://www.isc2026.org/"><strong>ISC 2026</strong></a></h3><p><strong>The </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/314"><strong>International Symposium on Chromatography (ISC)</strong></a><strong> represents the oldest conference series on separation science. ISC symposia have been organised since 1956 in each even year. ISC is one of the premier meetings series for discussion of all modes of chromatography and separation science with a broad coverage of techniques and applications.</strong></p><h4><strong>35th International Symposium on Chromatography</strong></h4><p>📆<strong>6. - 10. September 2026</strong></p><p>📍<strong>Prague, Czech Republic</strong></p><h3><strong>REGISTRATION</strong></h3><blockquote><p class="cke-user_style-important"><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://www.czech-in.org/cmPortalV15/Account/Login?ReturnUrl=%2FcmPortalV15%2FPortal%2FISC26%2Fnormal"><strong>Register HERE for the ISC 2026</strong></a></p><p><strong>Late Registration until 25 August 2026</strong></p></blockquote><h3><strong>ABSTRACT SUBMISSION</strong></h3><p>There is still an opportunity to share your latest results at ISC 2026!&nbsp;</p><blockquote><p class="cke-user_style-important"><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://www.czech-in.org/cmPortalV15/Account/Login?ReturnUrl=%2FcmPortalV15%2FPortal%2FISC26%2Fnormal"><strong>Submit your Abstract HERE</strong></a></p><ul><li><strong>Deadline for late-breaking poster abstract submission: July 30, 2026</strong>&nbsp;</li><li>Please note that <strong>late-breaking posters cannot compete for the Best Poster Award.&nbsp;</strong></li></ul></blockquote><h3><strong>ISC TUBE 2026</strong></h3><p>Since its launch in 2019, <strong>Tube</strong> has become a beloved highlight of chromatography conferences — offering scientists a fun, creative outlet to express their passion for separation science. At <strong>ISC 2026</strong>, the excitement continues in Prague, and <strong>the top three videos will be awarded</strong>. Open to individuals and groups of all ages, the winners will be determined live by <strong>electronic audience voting</strong>.&nbsp;</p><p>We invite you to create a <strong>short video (up to 1 minute)</strong> showing <strong>why you love chromatography</strong>! No need for fancy editing — just grab your phone and let your imagination flow. Be funny, be inspiring, be dramatic — but most importantly, be yourself! This is not a scientific presentation — it’s a science show! Your mission is to bring chromatography closer to the ISC audience in an engaging and entertaining way.</p><blockquote><p class="cke-user_style-important"><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://files.c-in.eu/s/S7ekt8FYygFBNEW"><strong>UPLOAD YOUR VIDEO HERE</strong></a></p></blockquote><h4><strong>Rules for Participation</strong></h4><ol><li><strong>Format: </strong>Typical video formats, such as MP4, MPG, AVI, and others.&nbsp;</li><li>The <strong>theme</strong> is broad, but here are a few ideas to spark your creativity:</li></ol><ul><li><strong>Infomercial: </strong>Combine science and storytelling — sell us your chromatography as if it’s changing the world!&nbsp;</li><li><strong>Sports Highlights</strong>: Recreate your lab’s “winning moment” — a slam dunk analysis or record-breaking run time.&nbsp;</li><li><strong>Movie Trailer:</strong> Turn your chromatography into a blockbuster — dramatic voiceovers encouraged!</li></ul><ol><li><strong>Content:</strong> Make your video engaging, persuasive, and visually appealing. Showcase your research and chromatographic practice with flair.&nbsp;</li><li><strong>Creativity: </strong>Think about what captivates you — a sports replay, a movie trailer, or even a teleshopping ad.<br>Now channel that energy into your chromatography story!&nbsp;</li><li><strong>Deadline: </strong>Upload your video via <a target="_blank" rel="noopener noreferrer" href="https://files.c-in.eu/s/S7ekt8FYygFBNEW"><strong>file upload</strong></a> <strong>by July 31st 2026</strong>. In case you have questions please refer to <strong>plachkka@faf.cuni.cz</strong>.</li></ol><h4><strong>Evaluation Criteria</strong></h4><ul><li>Winners will be selected via live electronic audience voting</li><li>Judging will be based on <strong>scientific relevance, creativity, entertainment value, and technical quality</strong></li><li>Entries containing discriminatory or offensive content will be excluded</li></ul><h4><strong>Who Can Participate?</strong></h4><ul><li><strong>Eligibility:</strong> Scientists (academic or industrial) of any age <strong>registered for the ISC 2026</strong> and working on chromatography-related projects — before, during, or after the separation step</li><li><strong>Submissions:</strong> Individual and group entries are welcome&nbsp;</li><li><strong>Content: </strong>Videos must be based on the participant’s own work&nbsp;</li><li><strong>Selection:</strong> A shortlist of top videos will be chosen for the <strong>live finals at ISC 2026</strong>, which will be held on <strong>Tuesday 8 September, 18:30 – 19:30&nbsp;</strong></li></ul>

ISC 2026 - ISC Tube & Late-Breaking Poster Deadline

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 20th July 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you posters by <strong>Agilent Technologies / ASMS,&nbsp;</strong> <strong>Bruker / ASMS</strong>, presentation by <strong>MDCW / University of North Dakota </strong>and application note by <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Extractables Analysis of Food Contact Materials Using High-Resolution GC/MS and LC/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_fcm_extractables_lc_q_tof_wp_311_asms_2026_en_agilent_f5d83c8730.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Chemicals residing in food contact materials (FCM) can migrate from packaging and containers into food. The FCM include a variety of materials including paper and plastic among others. The substances that migrate from FCM include volatile, semi-volatile and non-volatile compounds and therefore a combination of GC/MS and LC/MS techniques is needed for comprehensive analysis of potential migrants. In this study we evaluated different types of FCM including food vacuum sealer bags, heavy duty plastic food containers as well as lined paperboard containers. Various solvents were assessed for their ability to extract different classes of food packaging-derived chemicals. For increased confidence in compound annotation, high-resolution GC and LC MS platforms were used in this study in combination with application-specific accurate mass libraries.</p><h4><strong>Experimental</strong></h4><h5><strong>GC/Q-TOF&nbsp;</strong></h5><ul><li><strong>MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;search=7250&amp;to=2026"><strong>Agilent 7250 GC/Q-TOF</strong></a></li><li><strong>GC: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;to=2026&amp;search=8890"><strong>Agilent 8890 GC</strong></a></li><li><strong>Column: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;to=2026&amp;search=DB-5Q"><strong>Agilent DB-5Q</strong></a>, 30 m, 0.25 mm, 0.25 µm</li></ul><h5><strong>LC/Q-TOF</strong></h5><ul><li><strong>LC: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity+II"><strong>Agilent 1290 Infinity II</strong></a></li><li><strong>MS: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Revident"><strong>Agilent Revident LC/Q-TOF</strong></a></li><li><strong>Analytical column:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Poroshell+Aq-C18"><strong>Agilent Poroshell Aq-C18</strong></a> 2.1 x 150 mm, 2.7µm column</li></ul><h4><strong>Conclusions</strong></h4><p>FCM extractions were optimized and successfully analyzed using a variety techniques based on highresolution GC/MS and LC/MS. Combination of different high resolution MS techniques helped to ensure a comprehensive E&amp;L compound coverage. E&amp;L focused accurate mass libraries were key to efficient data analysis.</p><h3><strong>2. Bruker / ASMS: Novel data processing workflow including in-silico derivatization for integrated CI &amp; EI MS data acquired with the GC-ecTOF instrument</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/asms_2026_thp_429_in_silico_derivatization_for_integrated_ci_ei_ectof_fb022d26ba.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Combined suspect and non-target GC-MS analysis of volatile and semi-volatile compounds holds relevance for environmental monitoring &amp; research, food, flavor &amp; fragrance analysis as well as metabolomics studies. The combination of Chemical Ionization (CI) and Electron Ionization (EI) in the ecTOF instrument (Bruker Daltonics, Bremen, Germany) can improve the identification confidence of unknown compounds, especially in complex samples and when no standards are available. The simultaneous usage of two complementary ionization techniques brings additional advantages for quantification workflows. To leverage these benefits, a novel data processing approach has been developed, and applicability is shown in two study designs.</p><h4><strong>Methods</strong></h4><p>Derivatized samples from two studies were analyzed using the GC-ecTOF instrument. Data were converted to TSF format and processed with prototype versions of MetaboScape and TASQ. Untargeted feature detection was performed on the CI data stream, including de-isotoping, de-adducting for CI-specific ions [M-H]⁺, [M]⁺, [M+H]⁺, [M+NH₄]⁺, [M-CH3 ] + and retention time alignment across all samples.</p><h4><strong>Conclusion</strong></h4><ul><li>Untargeted feature finding and streamlined annotation of ecTOF supported by in-silico derivatization and in-silico fragmentation extends GC-MS analysis for metabolomics and non-target screening.&nbsp;</li><li>In-silico derivatization permits complementary annotation for compounds lacking reference standards.&nbsp;</li><li>Simplified process from identified markers in profiling experiments to target screening and quantitation methods.</li></ul><h3><strong>3. MDCW / University of North Dakota: Identifying the transition from ante-mortem to post-mortem odor in cadavers cadavers in an outdoor environment</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_23_Patel_2a1bb7a2fa.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This presentation investigates how the characteristic odor of a human body changes during the transition from life (ante-mortem) to decomposition (post-mortem). The researchers focused on identifying volatile organic compounds (VOCs) released during the early post-mortem period and determining when the scent profile changes from that of a living person to that associated with human remains. Understanding this transition is particularly important for improving search and rescue operations, where distinguishing between living victims and deceased individuals is essential for deploying search-and-rescue dogs and human remains detection dogs effectively.</p><p>To study this process, VOC samples were collected from body donors at both a morgue and an outdoor decomposition research facility (REST). Air samples were collected using sorbent tubes and ACTI-VOC pumps after controlled VOC accumulation and sampling periods. Chemical analysis was performed using <strong>thermal desorption comprehensive two-dimensional gas chromatography coupled with mass spectrometry (TD-GC×GC-MS)</strong>. The analytical system employed a Restek <strong>Rxi®-624Sil MS</strong> first-dimension column and a <strong>Stabilwax®</strong> second-dimension column, with electron ionization (70 eV) mass spectrometry covering a mass range of <strong>29–300 amu</strong> at an acquisition rate of <strong>250 spectra/s</strong>. Data processing combined <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF</strong></a> software with <strong>RStudio</strong> for feature alignment, normalization, filtering, and manual verification of VOC profiles.</p><p>The study identified <strong>827 volatile organic compounds</strong>, representing a wide range of chemical classes including nitrogen-containing compounds, esters, halogenated compounds, aromatics, alcohols, ketones, aldehydes, sulfur-containing compounds, ethers, and acids. By comparing experimentally detected VOCs with compounds previously reported in the literature for both living humans and decomposing remains, the researchers identified <strong>33 trans-mortem VOCs</strong> that characterize the transition between ante-mortem and post-mortem odor. VOC profiles were then monitored throughout decomposition for individual donors, allowing the team to visualize how the relative contributions of ante-mortem, trans-mortem, and post-mortem compounds evolved over time.</p><p>The results showed that ante-mortem and trans-mortem VOCs remained detectable during the earliest stages after death, while post-mortem odor compounds became increasingly dominant after approximately <strong>Accumulated Degree Days (ADD) 73.4</strong>, corresponding to <strong>Experimental Day 3</strong>. The authors conclude that although these findings improve our understanding of early decomposition odor chemistry, additional studies across different environments and seasonal conditions are needed to standardize VOC-based approaches and further support forensic investigations and search-and-rescue applications.</p><h3><strong>4. Shimadzu: Gas Analysis for CO2 Conversion Using a GI-30 Auto Gas Injector</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00964_en_2482908145.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The catalytic conversion of carbon dioxide (CO2) to methanol (MeOH) and to hydrocarbons has garnered significant attention as a strategy to realize a sustainable chemical industry. Analytical targets in CO2 conversion studies typically include carbon monoxide (CO), hydrocarbons, alcohols, and other reaction products. Selection of appropriate column and detector combinations must therefore be guided by the nature and concentrations of target analytes.</p><p>In this application news, we demonstrate simultaneous analysis on two parallel columns by using INJ2-way branch unit to permit detection of CO and hydrocarbons together with alcohols such as MeOH. We also present a simplified measurement approach employing a single-column configuration equipped with a thermal conductivity detector(TCD).</p><h4><strong>System Configuration and Analysis Conditions</strong></h4><p>Two reaction schemes using CO2 as feedstock were envisaged: (1) MeOH synthesis and (2) conversion to hydrocarbons. The instrumentation comprised the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=1&amp;to=2026&amp;search=GI-30"><strong>Auto Gas Injector GI-30</strong></a> and the SPI inlet, which minimizes air ingress and sample adsorption (Fig. 1).&nbsp;</p><p>For the MeOH synthesis application, a Jetanizer -FID—which permits detection of CO and CO2 that are not observable by a conventional FID—was employed. A MICROPACKED-ST packed column provides separation of CO from O2 (ambient contamination); however, higher-boiling hydrocarbons and alcohols such as MeOH are not eluted from this column. To achieve comprehensive analysis, the injector was splitted and an SH-Q-BOND capillary column was used to resolve hydrocarbons and MeOH concurrently. The injection-port splitting is implemented using dedicated hardware (Application News No. 01-00661-EN).&nbsp;</p><p>For the conversion to hydrocarbons scenario, when analytes are permanent gases and C3-or-smaller hydrocarbons, quantitative analysis can be performed with a single MICROPACKED-ST column coupled to a TCD. The TCD responds to differences in thermal conductivity between carrier and analyte gases; measuring low–thermal-conductivity species such as hydrocarbons requires a carrier gas with high thermal conductivity (helium or hydrogen) (Table 1). The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=1&amp;search=gc-2050&amp;to=2026"><strong>Brevis</strong> <strong>GC-2050</strong></a><strong> TCD</strong> uses a single filament design, resulting in rapid baseline stabilization (~10 minutes), which is advantageous for routine operation.</p><h4><strong>Conclusion</strong></h4><p>Using INJ2-way branch unit enables simultaneous analyses using distinct column-detector combinations within a single chromatographic cycle, permitting comprehensive quantification of reaction products from CO2 conversion— ranging from CO and hydrocarbons to alcohols such as MeOH. For analyses restricted to hydrocarbons up to C3, a streamlined single-column TCD configuration provides sufficient separation and sensitivity. It should be noted that MeOH and hydrocarbons of carbon number ≥ C4 may adsorb or be retained on the MICROPACKED-ST column; periodic column conditioning is therefore recommended.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 30, 2026

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The International Symposium on Chromatography (ISC) represents the oldest conference series focussing on separation science. ISC symposia have been organised since 1956 in each even year. ISC is internationally recognised as one of the premier meeting series for discussion of all modes of chromatography and separation science with a broad coverage of techniques and applications.

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