<p><strong>Size exclusion chromatography (SEC) columns are highly sensitive to operating conditions, including the composition of the mobile phase and the nature of analyzed samples. Improper handling and unsuitable method conditions can significantly reduce column lifetime. This guide summarizes common causes of column degradation and provides practical recommendations for extending column lifespan.</strong></p><h3><span><strong>Common Causes of Reduced Column Lifetime</strong></span></h3><p>Several factors can negatively affect the performance and durability of SEC columns:</p><h4><span><strong>1. Contamination of the Stationary Phase</strong></span></h4><ul><li>Accumulation of impurities from samples or mobile phases</li><li>Microbial growth due to infrequent replacement of mobile phase</li></ul><h4><span><strong>2. Stationary Phase Degradation</strong></span></h4><ul><li>Caused by unsuitable pH conditions</li><li>Exposure to inappropriate temperatures</li><li>Use of harsh chemical agents</li></ul><h4><span><strong>3. Improper Column Storage</strong></span></h4><ul><li>Incorrect storage conditions may reduce column performance over time</li></ul><h4><span><strong>4. Column Inlet Blockage</strong></span></h4><ul><li>Particulates from insufficiently prepared samples can clog the column inlet</li></ul><h3><span><strong>Preventive Measures and Best Practices</strong></span></h3><h4><span><strong>1. Preventing Contamination</strong></span></h4><ul><li>Use high-quality solvents</li><li>Prepare buffer solutions daily</li><li>Filter both mobile phases and samples before use</li><li>Perform regular column cleaning</li></ul><p><strong>Important note: </strong>Not all SEC columns can be reverse flushed. For example:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1534"><strong>Biozen dSEC-2</strong></a> and Yarra SEC-X7 columns <strong>must not be backflushed</strong></li></ul><h4><span><strong>2. Protecting the Stationary Phase</strong></span></h4><ul><li>Operate within recommended pH and temperature limits</li><li>When using strong denaturants (e.g., urea or SDS):<ul><li>Perform immediate and thorough water flushing after use</li></ul></li></ul><h4><span><strong>3. Proper Column Storage</strong></span></h4><p><strong>Before storage </strong>always clean the column thoroughly</p><ul><li><strong>Two storage options:</strong><ul><li><strong>Buffer with bacteriostatic agent</strong> (e.g., sodium azide)</li><li><strong>No buffer:</strong> water with 20% methanol</li></ul></li></ul><p><strong>When introducing methanol:</strong></p><ul><li>Use <strong>low flow rates</strong></li><li>Prevent pressure spikes that could damage the column</li></ul><p><strong>When restarting the column:</strong></p><ul><li>Consider that the column contains 20% methanol</li><li>Adjust flow conditions accordingly</li></ul><h4><span><strong>4. Preventing Column Inlet Clogging</strong></span></h4><p>Use protective components:</p><ul><li><strong>Guard column</strong></li><li><strong>Precolumn</strong></li></ul><p>These act as barriers to prevent contamination of the analytical column.</p><h5><span><strong>Types of Protection:</strong></span></h5><ul><li><strong>Security guard cartridges</strong><ul><li>Minimal added length</li></ul></li><li><strong>Short precolumns</strong><ul><li>Same stationary phase as analytical column</li></ul></li></ul><h5><span><strong>Key Advantage:</strong></span></h5><ul><li>Essential for columns that <strong>cannot be backflushed</strong></li><li>Protects against:<ul><li>Poorly centrifuged samples</li><li>Particulate contamination</li><li>Dirty sample matrices</li></ul></li></ul><h3><span><strong>Conclusion</strong></span></h3><p>Extending the lifetime of SEC columns requires careful attention to:</p><ul><li>Sample preparation</li><li>Mobile phase quality</li><li>Operating conditions</li><li>Storage procedures</li><li>Use of protective accessories</li></ul><p>Implementing these practices helps prevent contamination, degradation, and mechanical damage, ensuring consistent column performance and longer service life.</p>

Extending the Lifetime of Size Exclusion Columns

<h4><strong>Let’s begin with a simple question: what do we actually mean by high throughput?</strong></h4><p><strong>In the laboratory, high throughput usually refers to the ability to analyze tens, hundreds, or even thousands of samples per day, either across a laboratory workflow or on a single analytical system. Achieving this requires more than just a fast method. It depends on reliable instrumentation, automation, sufficient sample capacity, and smart system design that minimizes idle time between runs.</strong></p><p>In this article, we look at the key requirements for high-throughput HPLC analysis and how they are addressed in the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2371"><strong>HTQC system</strong></a>.</p><h4><strong>Speed</strong></h4><p>High-throughput HPLC workflows typically rely on short methods. This includes both the chromatographic runtime and the cycle time of the injection module.</p><p>With the HTQC system, fast gradient applications up to 1200 bar can be implemented using two integrated UHPLC high-pressure gradient pumps.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Fig_1_2_HPG_pumps_of_HTQC_system_left_P_8_1_L_max_pressure_1240_bar_right_P_6_1_L_max_pressure_1000_bar_4d4873ff2f.jpg" alt="KNAUER: Fig. 1–2  HPG pumps of HTQC system, left: P 8.1L (max. pressure 1240 bar), right: P 6.1L (max. pressure 1000 bar)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Fig_1_2_HPG_pumps_of_HTQC_system_left_P_8_1_L_max_pressure_1240_bar_right_P_6_1_L_max_pressure_1000_bar_4d4873ff2f.jpg 245w," sizes="100vw" width="1266" height="386"></p><p>We will not discuss the full details of transferring classical HPLC methods to fast, high-resolution UHPLC methods here, but UHPLC implementation can dramatically reduce total analysis time.</p><p>Let’s use a hypothetical example. Imagine Giorgia, a randomly chosen name, working in pharmaceutical quality control in 1998. She must have travelled back in time, because she would have been too young to work in a lab then, but the example still works. With a classical HPLC method, each sample takes approximately 75 minutes, including equilibration, analysis, and backflushing of a 250 × 4.6 mm ID column. This type of method has been common in QC laboratories around the world. During an eight-hour working day, Giorgia can analyze around six samples.</p><p>Now let’s transfer the same method to UHPLC. The improvement is substantial. Analysis time, equilibration time, and backflushing time are all reduced to under six minutes per sample. Giorgia can now process around 90 samples in one working day.</p><p>You may wonder why the HTQC system requires two UHPLC gradient pumps. We will come back to that shortly.</p><p>The next way to increase speed is to reduce injector cycle time. Injection procedures and washing steps can sometimes take a significant amount of time. This is where the LH 8.1 liquid handler becomes important.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Fig_3_KNAUER_LH_8_1_Liquid_Handler_77ab506ca6.webp" alt="KNAUER: Fig. 3  KNAUER LH 8.1 Liquid Handler" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Fig_3_KNAUER_LH_8_1_Liquid_Handler_77ab506ca6.webp 129w," sizes="100vw" width="800" height="971"></p><p>The LH 8.1 supports overlapped injections. This means that the next injection can already be prepared while the current analysis is still running. Necessary cleaning steps of the injection system are still maintained, but idle time is reduced.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Fig_4_Schematic_buildup_of_injections_with_and_without_overlapped_injections_af089ba652.webp" alt="KNAUER: Fig. 4 Schematic buildup of injections with and without overlapped injections" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Fig_4_Schematic_buildup_of_injections_with_and_without_overlapped_injections_af089ba652.webp 245w," sizes="100vw" width="1920" height="452"></p><p>Let’s return to Giorgia. By using overlapped injections in her QC method, she saves about one minute per sample. This increases her capacity to approximately 105 samples per day.</p><h4><strong>Sample Throughput</strong></h4><p>A high-throughput system must also be able to handle and store a sufficient number of samples. Here, the LH 8.1 provides another major advantage. In the long-rail version, it can be equipped with up to three robotic coolers.</p><p>With three coolers, each containing three drawers, the system can hold nine 10 × 13 sample trays. That means a total capacity of 1170 vials. The samples are also temperature controlled.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Fig_5_6_Robotic_Cooler_with_two_10x6_trays_LH_8_1_887_version_with_two_Robotic_Coolers_855b10c2a3.jpg" alt="KNAUER: Fig. 5–6 Robotic Cooler with two 10x6 trays, LH 8.1 (887 version) with two Robotic Coolers" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Fig_5_6_Robotic_Cooler_with_two_10x6_trays_LH_8_1_887_version_with_two_Robotic_Coolers_855b10c2a3.jpg 245w," sizes="100vw" width="1262" height="503"></p><p>Combined with the low eluent consumption typical of UHPLC, this large sample capacity makes it possible to extend operation from an eight-hour workday to 24-hour operation.</p><p>For Giorgia and her QC lab, this changes everything again. The same UHPLC method, including overlapped injections, can now run continuously around the clock. This allows approximately 320 samples to be processed per day.</p><p>Is that enough? Maybe not. As the blog title suggests: we just can’t get enough.</p><h4><strong>Automation</strong></h4><p>In addition to a standard 6-port, 2-position injection valve, the HTQC system includes an additional valve. This special column-switching and backflushing valve enables two columns to be operated alternately within a single UHPLC system.</p><p>While one column is used for analysis, the second column can be backflushed and equilibrated in the reverse flow direction at the same time. This is particularly useful for reducing matrix effects, which are often encountered in QC laboratories when complex sample matrices are analyzed. It also helps reduce overall method runtime.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Fig_7_Exemplary_flow_scheme_of_special_column_switching_valve_d837a71117.webp" alt="KNAUER: Fig. 7 Exemplary flow scheme of special column switching valve" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Fig_7_Exemplary_flow_scheme_of_special_column_switching_valve_d837a71117.webp 127w," sizes="100vw" width="735" height="905"></p><h4><strong>Parallel Processing</strong></h4><p>Remember the earlier question: why does the system use two UHPLC gradient pumps?</p><p>The reason is now clear. The second gradient pump is required to backflush one column while the other column is connected to the analytical flow path through the special switching valve.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Fig_8_Schematic_illustration_of_column_cleaning_equilibration_and_analysis_with_special_backflush_valve_eae2e6f705.webp" alt="KNAUER: Fig. 8 Schematic illustration of column cleaning, equilibration and analysis with special backflush valve" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Fig_8_Schematic_illustration_of_column_cleaning_equilibration_and_analysis_with_special_backflush_valve_eae2e6f705.webp 245w," sizes="100vw" width="1920" height="281"></p><p>Giorgia immediately ordered a second UHPLC pump and the special valve for her QC lab. She now has a complete HTQC system and is very pleased with the result.</p><p>Why? Let’s calculate it one final time. With all automation features in place, Giorgia can clean one column while the other column analyzes a sample. This enables her to process an impressive 600 samples per day.</p><p>Compared with the classical HPLC method she used in 1998, the daily sample throughput has increased from six samples to 600 samples. That is a 100-fold increase.</p><h4><strong>Summary</strong></h4><p>We started with a question, so let’s end with one too: what steps increased the throughput?</p><p>First, the method was scaled down from classical HPLC to a fast UHPLC approach. Then, a second pump and a special column-switching and backflushing valve were added to the UHPLC setup. Together with the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1454"><strong>LH 8.1 liquid handler</strong></a> and its exceptional sample capacity, the HTQC system becomes a flexible and powerful configuration for high-throughput analysis.</p><p>The system can also be coupled to nearly any detector used in HPLC. Because of its ability to operate at very high speed, it is especially well suited for mass spectrometric methods.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Fig_9_Complete_flow_scheme_of_HTQC_system_with_highlighted_system_components_edef36cb42.webp" alt="KNAUER: Fig. 9 Complete flow scheme of HTQC system with highlighted system components" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Fig_9_Complete_flow_scheme_of_HTQC_system_with_highlighted_system_components_edef36cb42.webp 161w," sizes="100vw" width="800" height="775"></p><blockquote><p>For further information on this topic, please contact our authors: <strong>kramer@knauer.net</strong>, <strong>m.myrach@knauer.net</strong></p></blockquote>

Introducing Our System Solution for High Throughput Quality Control – HTQC

News from LabRulezLCMS Library - Week 19, 2026

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Phenomenex is a global technology leader committed to developing novel analytical chemistry solutions that solve the separation and purification challenges of researchers in industrial, government and academic laboratories.

Phenomenex

Based in Berlin, KNAUER is a medium-sized, owner-managed company that has been serving the sciences since 1962. We develop and manufacture scientific instruments of superior quality for liquid chromatography, including: Analytical HPLC/UHPLC, Preparative HPLC, Fast protein liquid chromatography (FPLC), Multi-column chromatography/Simulated moving bed (SMB) chromatography. High pressure dosing, in-line detection systems, and osmometry are additional business areas.

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Thermo Scientific Orbitrap Exploris MX Mass Detector

Accelerate biopharmaceutical late-stage development, commercialization, manufacturing, and quality control (QC) by easily and reliably obtaining compliance-ready, high-quality mass information. 

<p><strong>Accelerate biopharmaceutical late-stage development, commercialization, manufacturing, and quality control (QC) by easily and reliably obtaining compliance-ready, high-quality mass information.&nbsp;</strong></p><p>The <strong>Thermo Scientific Orbitrap Exploris MX mass detector</strong> is the perfect fit for deploying routine mass monitoring.</p><p>In addition to high-resolution mass detection provided by Thermo Scientific Orbitrap mass analyzers, this fit for purpose system is simple to operate and compliance ready with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/chromatography/chromatography-learning-center/chromeleon-cds-information/cds-mass-spectrometry-software.html">Thermo Scientific Chromeleon chromatography data system (CDS) software</a>. Consistent performance between the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/402">Thermo Scientific Orbitrap Exploris 240 mass spectrometer</a> and Orbitrap Exploris MX detector ensures seamless method transfer from development to QC.</p><h4><strong>High-resolution accurate-mass (HRAM) data provide utmost confidence for:</strong></h4><ul><li>Sequence confirmation</li><li>Peptide monitoring</li><li>Intact protein analysis (from small to large molecules, reduced mAbs, and intact mAbs under native and denaturing conditions)</li><li>Glycan profiling</li><li>Oligonucleotide and oligonucleotide impurity mass confirmation</li></ul><h3><strong>Highlights of Orbitrap Exploris MX mass detector&nbsp;</strong></h3><div colctrl-id="5-1"><div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><h4><strong>Simplicity for scientists and technicians</strong></h4><p>Simplify tasks and reduce errors for more ‘right first time’ analyses with Chromeleon CDS, with built in methods, control, data processing, and management. The suite of smart tools makes your work faster and easier, while ensuring reproducible, high-quality mass monitoring.</p></div></div></div><div><div container-id="cq-colctrl-lt0" comp-id="B1"><div><h4><strong>Accelerate productivity</strong></h4><p>High uptime boosts productivity. Rapid “set and forget” calibration procedures provide consistent mass stability for at least four weeks at prescribed conditions. Instrument status monitoring and optimized pressure control alert users when maintenance is needed, avoiding unnecessary downtime and repeat analyses.</p></div></div></div></div><div colctrl-id="6-1"><div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><h4><strong>Compliance for competitive advantage</strong></h4><p>Designed for data integrity, data security, and compliance, fully scalable Chromeleon CDS provides comprehensive technical controls to give you a competitive edge in meeting global regulatory requirements.</p></div></div></div><div><div container-id="cq-colctrl-lt0" comp-id="B1"><div><h4><strong>Consistent results deliver confidence</strong></h4><p>Robust and reliable performance from system to system and site to site ensure confidence in results used to make critical decisions. Industry-proven Orbitrap technology, now purposely designed for mass monitoring in future-proof lab operations.</p></div></div></div></div><div colctrl-id="7-1"><div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><h4><strong>Seamless method transfer to MAM</strong></h4><p>Easy transfer of sophisticated Multi-Attribute Method (MAM) assays from development to manufacturing bridges the gap between development and QC.</p></div></div></div><div><div container-id="cq-colctrl-lt0" comp-id="B1"><div><h4><strong>Dedicated, global support team</strong></h4><p>The dedicated, global Thermo Scientific MAM team maximizes your productivity and confidence with installation, training, and fast service and support. Standardized system performance evaluation test (SET) and installation qualification/operational qualification (IQ/OA) thoroughly assess system performance with comprehensive installation and post-maintenance acceptance criteria.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Orbitrap_Exploris_MX_Mass_Detector_4_2ad72d9b21.jpg" alt="Orbitrap Exploris MX mass stability: mass deviation relative to first observed mass in parts-per-million for 9 BSA tryptic peptides monitored over a period of 6 weeks using the new internal recalibration option. Each data point is an average of 19 individual injections." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Orbitrap_Exploris_MX_Mass_Detector_4_2ad72d9b21.jpg 184w," sizes="100vw" width="1240" height="1052"></p><h3><strong>Accelerate MAM deployment&nbsp;</strong></h3><h4><strong>Seamless knowledge and method transfer</strong></h4><p>Benefit from the end-to-end Thermo Scientific MAM 2.0 workflow approach to comprehensive characterization and monitoring of biotherapeutics from development to commercialization. <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/402">Orbitrap Exploris 240</a> mass spectrometer methods, established during development, seamlessly transfer to the Orbitrap Exploris MX detector in manufacturing or by contract partners. In addition to full integration into the high-resolution MAM 2.0 workflow, the usability and low cost of the Orbitrap Exploris MX detector make it the perfect fit for high-throughput QC and contract labs.</p><p>Users can identify and evaluate relevant product quality attributes (PQAs) via high-throughput analytics provided by Thermo Scientific BioPharma Finder software. Connected labs can access data from development through QC using MAM 2.0 powered by Thermo Scientific Ardia Platform. And, PQAs can be monitored throughout the entire drug development process using the MAM target peptide workbook built from the list of identified peptides upon incorporation into a Chromeleon processing method. The processing method along with the instrument method, injection sequence, view setting and report template can be stored into a MAM eWorkflow for easy and direct transfer to QC via Chromeleon CDS Enterprise software.</p><div><h5><strong>MAM 2.0 offers:</strong></h5><ul><li>Fast decision making based on high-confidence PQAs obtained using industry-leading HRAM Orbitrap technology</li><li>Seamless knowledge and method transfer across instruments, departments, and sites using compliance-ready, Chromeleon CDS enterprise software, and Ardia Platform</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Orbitrap_Exploris_MX_Mass_Detector_cd7474e7ed.jpg" alt="Thermo Scientific Orbitrap Exploris MX Mass Detector" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Orbitrap_Exploris_MX_Mass_Detector_cd7474e7ed.jpg 245w," sizes="100vw" width="1170" height="504"></p><blockquote><p><strong>Thermo Scientific MAM 2.0</strong></p><p>The end-to-end MAM solution for a fully connected, compliance-ready platform. MAM 2.0 includes everything you need to bring your next biotherapeutic candidate straight through to breakthrough.</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/biopharmaceutical-analytical-testing/multi-attribute-method.html"><strong>Learn more</strong></a></li></ul></blockquote></div></div></div></div></div>

Thermo Scientific Orbitrap Exploris Mass Spectrometers

Discover which Orbitrap Exploris mass spectrometry system will meet your business needs for more efficient screening, identification, confirmation and quantitation.

<p><strong>Benefit from record-setting performance. With built-in intelligence, sensitivity and selectivity; the Thermo Scientific Orbitrap Exploris mass spectrometry is quantitative high-resolution, accurate-mass (HRAM) liquid chromatography mass spectrometry (LC-MS) for analysis depth to the lowest levels with high quantitative accuracy and precision to meet your exact analytical requirements. Scale up your research and translate your results more rapidly and simply than ever before.</strong></p><h3><strong>Why choose an Orbitrap Exploris mass spectrometer for your laboratory?</strong></h3><p>Discover which Orbitrap Exploris mass spectrometry system will meet your business needs for more efficient screening (including targeted, suspected and nontargeted), identification, confirmation and quantitation.</p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1490"><strong>Orbitrap Exploris MX mass detector</strong></a></h4><p>Accelerate biopharmaceutical commercialization, manufacturing and quality control by easily and reliably obtaining compliance-ready, high-quality mass information with the Thermo Scientific Orbitrap Exploris MX Mass Detector.</p><p><strong>Typical applications: </strong>Biopharmaceutical characterization and QC, intact protein analysis, Multi-Attribute Method (MAM), oligonucleotides, pharmaceuticals</p><p><strong>Analyses: </strong>Targeted / non-targeted screening (MS), Unknown Identification (MS), Absolute and Relative Quantitation (MS)</p><p><strong>Resolution powers: </strong>180,000</p><p><strong>Mass range: </strong>m/z 40–3,000 up to m/z 8,000 with BioPharma option</p><p><strong>Scan speed: </strong>22Hz</p><p><strong>Sources &amp; Flexibility: </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-systems/orbitrap-lc-ms/orbitrap-exploris-mass-spectrometers.html#small">AP-SMALDI<sup>5</sup>&nbsp;AF source for MS Imaging</a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Orbitrap_Exploris_MX_Mass_Detector_2_a84ed39672.jpg" alt="Thermo Scientific Orbitrap Exploris MX Mass Detector" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Orbitrap_Exploris_MX_Mass_Detector_2_a84ed39672.jpg 169w," sizes="100vw" width="1696" height="1575"></p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/403"><strong>Orbitrap Exploris 120 Mass Spectrometer&nbsp;</strong></a></h4><p>Benefit from best in class high-resolution accurate mass for confident testing, screening and quantification of small molecules with the Thermo Scientific Orbitrap Exploris 120 Mass Spectrometer.&nbsp;&nbsp;</p><p><strong>Typical applications: </strong>Food and environmental testing, metabolomics, forensic toxicology, clinical research, pharmaceuticals</p><p><strong>Analyses: </strong>Targeted / non-targeted screening (MS), Unknown Identification (MS), Confirmation (MS/MS), Absolute and Relative Quantitation (MS and/or MS<sup>2</sup>)</p><p><strong>Resolution powers: </strong>120,000</p><p><strong>Mass range: </strong><i>m/z</i>&nbsp;40 – 3,000</p><p><strong>Scan speed: </strong>22Hz</p><p><strong>Sources &amp; Flexibility: </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/IQLAAEGABBFAGOMZZZ">APCI/APPI Combination</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-systems/orbitrap-lc-ms/orbitrap-exploris-mass-spectrometers.html#small">AP-SMALDI<sup>5</sup>&nbsp;AF source for MS Imaging</a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Orbitrap_Exploris_120_Mass_Spectrometer_3_77e4e07555/Thermo-Orbitrap-Exploris-120-Mass-Spectrometer-3.jpg" alt="Thermo Orbitrap Exploris 120 Mass Spectrometer " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Orbitrap_Exploris_120_Mass_Spectrometer_3_77e4e07555/thumbnail_Thermo-Orbitrap-Exploris-120-Mass-Spectrometer-3.jpg 171w," sizes="100vw" width="938" height="856"></p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/402"><strong>Orbitrap Exploris 240 Mass Spectrometer&nbsp;</strong></a></h4><p>Get unmatched confidence for discovery and identification, with application versatility and operational simplicity with the Thermo Scientific Orbitrap Exploris 240 Mass Spectrometer.&nbsp;</p><p><strong>Typical applications: </strong>Biopharmaceutical characterization, proteomics, metabolomics, lipidomics, food and environmental research, clinical research</p><p><strong>Analyses: </strong>Targeted / non-targeted screening (MS), Unknown Identification (MS), Confirmation (MS/MS), Absolute and Relative Quantitation (MS and/or MS<sup>2</sup>)</p><p><strong>Resolution powers: </strong>240,000</p><p><strong>Mass range: </strong><i>m/z</i>&nbsp;40 - 6000, (up to 8000 with BioPharma option)</p><p><strong>Scan speed: </strong>30Hz</p><p><strong>Sources &amp; Flexibility: </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/us/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-accessories/field-asymmetric-ion-mobility-spectrometry-faims.html">FAIMS Pro Duo interface</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/IQLAAEGABBFAGOMZZZ">APCI/APPI Combination</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/ES081">EASY-Spray Source</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/ES071">Nanospray Flex Ion Sources</a>&nbsp;, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-systems/orbitrap-lc-ms/orbitrap-exploris-mass-spectrometers.html#small">AP-SMALDI<sup>5</sup>&nbsp;AF source for MS Imaging</a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Orbitrap_Exploris_240_Mass_Spectrometer_2_a5085c34b0/Thermo-Orbitrap-Exploris-240-Mass-Spectrometer-2.jpg" alt="Thermo Orbitrap Exploris 240 Mass Spectrometer " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Orbitrap_Exploris_240_Mass_Spectrometer_2_a5085c34b0/thumbnail_Thermo-Orbitrap-Exploris-240-Mass-Spectrometer-2.jpg 175w," sizes="100vw" width="945" height="841"></p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/401"><strong>Orbitrap Exploris 480 Mass Spectrometer&nbsp;</strong></a></h4><p>Achieve next-level insights, exploratory and targeted quantitation, next-gen power, performance, and ease of use with the Thermo Scientific Orbitrap Exploris 480 Mass Spectrometer.</p><p><strong>Typical applications: </strong>Shotgun proteomics (LFQ DIA, DDA), single cell proteomics, TMT multiplexing, targeted peptide quantification, metabolomics, biopharmaceutical applications (including HCP and protein characterization).</p><p><strong>Analyses: </strong>Targeted / non-targeted screening (MS), Unknown Identification (MS), Confirmation (MS/MS), Absolute and Relative Quantitation (MS and/or MS<sup>2</sup>)</p><p><strong>Resolution powers: </strong>480,000</p><p><strong>Mass range: </strong><i>m/z</i>&nbsp;40 - 6000, (up to 8000 with BioPharma option)</p><p><strong>Scan speed: </strong>40Hz</p><p><strong>Sources &amp; Flexibility: </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/us/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-accessories/field-asymmetric-ion-mobility-spectrometry-faims.html">FAIMS Pro Duo interface</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/IQLAAEGABBFAGOMZZZ">APCI/APPI Combination</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/ES081">EASY-Spray Source</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/ES071">Nanospray Flex Ion Sources</a>&nbsp;, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-systems/orbitrap-lc-ms/orbitrap-exploris-mass-spectrometers.html#small">AP-SMALDI<sup>5</sup>&nbsp;AF source for MS Imaging</a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Orbitrap_Exploris_480_Mass_Spectrometer_2_3d91c9b5b1/Thermo-Orbitrap-Exploris-480-Mass-Spectrometer-2.jpg" alt="Thermo Orbitrap Exploris 480 Mass Spectrometer " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Orbitrap_Exploris_480_Mass_Spectrometer_2_3d91c9b5b1/thumbnail_Thermo-Orbitrap-Exploris-480-Mass-Spectrometer-2.jpg 235w," sizes="100vw" width="880" height="584"></p>

Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system

The Inuvion Core system gives you all the benefits of chemical suppression and higher-pressure operation, with manual eluent preparation.

<h3><strong>Welcome to the evolution of everyday IC reliability</strong></h3><p>The new<strong> Thermo Scientific™ Dionex™ Inuvion™ ion chromatography system</strong> makes ion analysis simpler and more intuitive than ever before. And it delivers exactly what a busy analytical testing lab is looking for: <strong>consistently excellent results-every shift, every day, for every operator.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_2_6400708696.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ ion chromatography system." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_2_6400708696.jpg 245w," sizes="100vw" width="825" height="498"></p><h3><strong>Start with Inuvion Core</strong></h3><p>The <strong>Inuvion Core system</strong> gives you<strong> </strong>all the benefits of chemical suppression and higher-pressure operation, with manual eluent preparation. You still enjoy the<strong> same robust Dionex Inuvion platform</strong>-easily configurable and economically upgradeable to full-featured capabilities as budget allows.</p><figure class="image"><img style="aspect-ratio:650/650;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Dionex_Inuvion_Core_ion_chromatography_system_6c8824cb1d.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Dionex_Inuvion_Core_ion_chromatography_system_6c8824cb1d.jpg 156w," sizes="100vw" width="650" height="650"></figure><h3><strong>SIMPLE, INTUITIVE USER EXPERIENCE&nbsp;</strong></h3><ul><li><strong>Smart, function-driven design</strong> lets you quickly and safely access everything on the instrument—no hard-to-reach compartments, and no step stools or extra tools needed!</li><li><strong>Automated startup and shutdown routines</strong> ensure the system is quickly ready for the day’s work without user intervention.&nbsp;</li><li><strong>Built-in how-to videos</strong> reduce training time and simplify setup and operation.</li></ul><h3><strong>ULTRA-RELIABLE PERFORMANCE&nbsp;</strong></h3><ul><li><strong>Advanced high-performance pump technology and electronics</strong> let you take advantage of a wider range of columns and chemistries to improve the speed and quality of your results.</li><li><strong>Fast, flexible, convenient electrolytic suppression: </strong>Just connect the suppressor; no external pump or offline conditioning needed for regeneration.</li><li><strong>Reagent-free IC (RFIC™) capability</strong> makes eluent preparation as simple as “just add water,” while ensuring more consistent results and enabling optimized gradient separations.</li></ul><h3><strong>EASILY CONFIGURABLE AND UPGRADEABLE</strong></h3><ul><li><strong>Versatile, adaptable platform</strong> lets you configure the exact Dionex Inuvion IC system for today’s needs and budget, with confidence that your system will also meet your future needs.</li><li><strong>Multiple options and peripherals </strong>extend IC capabilities, letting you easily—and cost-effectively—adapt to changing sample types and workflow requirements.</li></ul><h3><strong>Simply the best system for everyday ion analysis</strong></h3><figure class="image"><img style="aspect-ratio:1107/755;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_d855feb2a8.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ ion chromatography system." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_d855feb2a8.jpg 229w," sizes="100vw" width="1107" height="755"></figure><p><strong>1. Operator-friendly engineering </strong>saves time and reduces errors by allowing easy, unobstructed access to all components, connections and consumables</p><p><strong>2. Compact design </strong>helps you make the most of valuable bench space</p><p><strong>3. Digital gas pressure regulator </strong>increases precision of gas delivery for maximum day-to-day consistency (optional)</p><p><strong>4. Temperature-controlled conductivity cell </strong>improves reproducibility and ensures baseline stability</p><p><strong>5. Vacuum degassing capability</strong> enables more consistent peak identification from smoother baselines</p><p><strong>6. Seal wash pump</strong> reduces maintenance costs when using manually prepared eluents (optional)&nbsp;</p><p><strong>7. Reagent-free IC (RFIC)</strong> saves time and ensures greater day-to-day and operator-to-operator consistency, while also allowing the use of gradient separations</p><p><strong>8. Electrolytic suppression</strong> entirely eliminates the need for manual regenerant preparation (or, opt for a continuously regenerated, always- ready-to-go chemical suppressor)</p><p><strong>9. Thermo Scientific™ Dionex™ IC PEEK Viper™ fittings</strong> ensure confident, low dead volume connections every time—no tools required! (optional)</p><p><strong>10. Integrated column heater</strong> minimizes the impact of fluctuations in lab temperature that can adversely affect results (optional)</p><p><strong>11. 6- or 10-port auxiliary valve</strong> lets you automate in-line sample preparation</p><p><strong>12. State-of-the-art high-pressure pump (up to 5000 psi)</strong> lets you increase flow rates with smaller particle columns to reduce run times or add additional separation capacity with longer column length</p><p><strong>13. System self-diagnostics </strong>automatically detect any issues with hardware and consumables</p><p><strong>14. Self-service capabilities and user-swappable parts</strong> help you get back up and running in a hurry Automatic eluent monitor alerts the operator to low solution levels, avoiding potential system damage or failed runs (optional)</p><p><strong>15. Automatic eluent monitor </strong>alerts the operator to low solution levels, avoiding potential system damage or failed runs (optional)</p><h3><strong>Flexible, adaptable Dionex Inuvion platform</strong></h3><p>You can <strong>configure your Dionex Inuvion system</strong> to meet specific analytical and budget requirements, and easily reconfigure as needed. Multiple configurations and peripherals extend IC capabilities, letting you easily-and cost-effectively-adapt to changing sample types and workflow requirements.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_3_fa8233bcd4.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ ion chromatography system." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_3_fa8233bcd4.jpg 245w," sizes="100vw" width="1246" height="572"></p><h3><strong>Consistently excellent results every day</strong></h3><p>The <strong>Dionex Inuvion IC system supports a full range of columns </strong>to improve the speed and quality of results, for both<strong> anions and cations.</strong> Expanded capabilities, such as Reagent-Free IC (RFIC), enhance operator-to-operator consistency, while enabling the use of eluent gradients to optimize separations.</p><h4><strong>Rapid results</strong></h4><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Obr_2_Ukazka_rychle_separace_zakladnich_aniontu_s_uhlicitanovou_MF_Zkraceni_doby_analyzy_diky_typu_kolony_a_vyssimu_prutoku_0e610b919d.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system: Figure 1. Elution of seven common inorganic anions using carbonate eluent. Short columns and fast flow rates let you reduce run times." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Pragolab_Obr_2_Ukazka_rychle_separace_zakladnich_aniontu_s_uhlicitanovou_MF_Zkraceni_doby_analyzy_diky_typu_kolony_a_vyssimu_prutoku_0e610b919d.jpg 245w," sizes="100vw" width="1622" height="739"></p><h4><strong>Exceptional reproducibility</strong></h4><figure class="image"><img style="aspect-ratio:1693/754;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Obr_3_Ukazka_reprodukovatelnosti_analyzy_zakladnich_aniontu_40_nastriku_Spickova_technologie_cerpadla_a_elektronika_pristroje_poskytuji_konzistentni_a_reprodukovatelne_vysledky_f66e7430cf.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system: Figure 2. Overlay of 40 replicate injections. State-of-the-art pump technology and Electronics deliver consistent, reproducible results." width="1693" height="754"></figure><h4><strong>Increased sensitivity and consistency</strong></h4><figure class="image"><img style="aspect-ratio:1860/836;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Obr_4_Ukazka_vysoce_citlive_analyzy_aniontu_ve_vodach_Eluent_generator_KOH_a_elektrolyticka_suprese_snizuji_pozadi_cimz_dochazi_ke_zvyseni_citlivosti_da55facfd0.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system: Figure 3. Determination of inorganic anions in drinking and surface waters. KOH eluent generation and electrolytic suppression yield lower backgrounds for greater sensitivity and increased day-to-day consistency." width="1860" height="836"></figure><h4><strong>Method optimization</strong></h4><figure class="image"><img style="aspect-ratio:1799/889;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Obr_5_Ukazka_optimalizace_metody_zkraceni_doby_analyzy_pouzitim_gradientu_mobilni_faze_fc1fbe9cb0.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system: Figure 4. Comparison of isocratic and gradient runs using eluent generation. Reduce run length and sharpen later-eluting peaks with the same ease as an isocratic run with no need for two separate eluents or a proportioning pump." width="1799" height="889"></figure><h3><strong>Compliance-ready Chromeleon CDS</strong></h3><p>A trusted industry standard all over the world, ”Simply Intelligent”<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) software </strong></a>brings out the full power of the Dionex Inuvion IC system. Easy to learn and easy to use, it automates and optimizes daily tasks and helps even inexperienced users achieve consistent, high quality results.</p><p><img style="aspect-ratio:3700/1660;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Thermo_Scientific_Dionex_Inuvion_2_303a6eb73b.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system." width="3700" height="1660"></p>

Thermo Scientific™ LipidSearch™ Software

Thermo Scientific™ LipidSearch™ software provides accurate identification of lipids and automatically integrates complex data into a concise report.

<h3><strong>The promise of lipidomics</strong></h3><p><strong>Lipidomics is a new field of study crucial for understanding cellular physiology and pathology. The application of lipidomic profiling to disease phenotype analysis is a rapidly growing aspect of translational medical research. Identification of unique lipid biomarkers has the potential to distinguish healthy individuals from individuals at risk for disease, detect diseases earlier, and facilitate development of personalized treatments.</strong></p><p>Liquid chromatography combined with mass spectrometry (LC/MS) is a widely adopted technique for lipidomics analyses. Relative and absolute quantitation, and identification, of lipids from biological samples requires sophisticated software with an extensive, comprehensive database.<strong> Thermo Scientific™ LipidSearch™ software provides accurate identification of lipids and automatically integrates complex data into a concise report. With its easy-to-use web-based interface, it dramatically reduces data analysis time.</strong></p><figure class="image"><img style="aspect-ratio:915/494;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_2_73b7d0a9e2.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Easy-to-use web browser interface for automated and reliable identification." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_2_73b7d0a9e2.jpg 245w," sizes="100vw" width="915" height="494"></figure><h3><strong>Automated identification and relative quantitation with LipidSearch software</strong></h3><p>LipidSearch software, developed jointly by Professor Ryo Taguchi and MKI, (Tokyo, Japan), is a powerful new tool for<strong> automatic identification and relative quantification of cellular lipid molecular species from large amounts of mass spectrometric data obtained in nano-infusion or LC-MS experiments. </strong>Using the industry-leading, high-resolution, accurate-mass <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap"><strong>Thermo Scientific Orbitrap™ technology</strong></a> with exclusive<strong> LipidSearch software</strong>, the most accurate and confident lipid profiles and identifications can be achieved more quickly than ever before.</p><ul><li><strong>Compatible with</strong> data acquired from Thermo Scientific™ triple quadrupole, ion trap, and Orbitrap mass spectrometers</li><li><strong>Largest lipid database</strong> containing <strong>&gt;1.5 million</strong> lipid ions and their predicted fragment ions</li><li><strong>Identification algorithms</strong> for product ion, precursor ion and neutral loss scans</li><li><strong>Alignment of lipid data</strong> obtained from multiple<strong> LC-MS and MS<sup>n</sup> experiments</strong></li><li><strong>Relative quantitation </strong>of identified lipid precursors in either LC-MS or infusion experiments</li></ul><p>The database contains <strong>defined structures and includes more than 1.5 million lipid ions and their predicted fragment ions. </strong>Fragmentation patterns are calculated and improved by using expert knowledge based on experimental results. Lipid adduct ions and MS<sup>n</sup> fingerprints are also included. Data are stored in XML files and are easily customized.</p><figure class="image"><img style="aspect-ratio:990/497;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_3_91f1458663.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Lipid fragment ions related to lipid headgroup, fatty acids, and backbone." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_3_91f1458663.jpg 245w," sizes="100vw" width="990" height="497"></figure><h3><strong>LipidSearch software provides an easy-to-use, automated workflow</strong></h3><p><strong>From peak detection to relative quantitaiton and identification, LipidSearch software provides an easy-to-use, automated workflow.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_4_2043f3d667.jpg" alt="Thermo Scientific™ LipidSearch™ Software: LipidSearch software provides an easy-to-use, automated workflow." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_4_2043f3d667.jpg 245w," sizes="100vw" width="1122" height="530"></p><h4><strong>Step 1 Data Analysis Module — Peak Detection</strong></h4><ul><li><strong>Raw data file reading</strong></li><li><strong>Smart peak detection</strong></li></ul><p>The peak detection engine implemented in<strong> LipidSearch software </strong>can handle<strong> different MS experiments and platforms. </strong>The combination of unique peak detection algorithms, tailored for each experiment and instrument type, and mass spectral processing functions enables accurate peak detection.</p><p><strong>LipidSearch software provides two different identification algorithms as well as scoring algorithms:</strong></p><ul><li><strong>A group-specific algorithm</strong> identifies lipids based on the polar head groups or fatty acids using a combination of precursor ion scanning and neutral loss scans from lipids mixtures.</li><li><strong>The comprehensive ID algorithm</strong> is used for product ion scans and can discriminate each lipid by matching the predicted fragmentation pattern stored in the database.</li><li>LipidSearch software also provides a <strong>set of scoring algorithms</strong> to filter out lower probability results</li></ul><h4><strong>Step 2 Identification Module — Lipid Identification</strong></h4><ul><li><strong>Group-specific ID (targeted)</strong></li><li><strong>Comprehensive ID (untargeted)</strong></li><li><strong>Scoring algorithms</strong></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_5_0abd534dd5.jpg" alt="Thermo Scientific™ LipidSearch™ Software: PG 17:0/17:0 Search Results." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_5_0abd534dd5.jpg 245w," sizes="100vw" width="1003" height="456"></p><h4><strong>Step 3 Quantitation Module — Alignment and Quantitation</strong></h4><ul><li><strong>XIC peak integration</strong></li><li><strong>Retention time alignment</strong></li><li><strong>Relative quantitation</strong></li><li><strong>Statistical analysis</strong></li></ul><p>Prior to quantitation, lipid results from each sample are aligned within a retention time window. Identified lipids are quantified by detecting their precursor ions from full-scan MS and integrating extracted ion chromatograms.</p><p>Accurate peak areas are computed by denoising and smoothing the peak profiles prior to separating any partially overlapped peaks. Comparative analysis is then carried out between the multiple sample and control groups using <strong>t-test statistics.</strong> The mean peak area result for each group is displayed in a “box and whisker” plot.</p><figure class="image"><img style="aspect-ratio:1129/909;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_6_196073034c.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Alignment results for CoQ7, [M+NH4]+." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_6_196073034c.jpg 194w," sizes="100vw" width="1129" height="909"></figure><p>Using the industry-leading, high-resolution, accurate-mass <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap"><strong>Thermo Scientific™ Orbitrap™ technology</strong></a><strong> </strong>with exclusive<strong> LipidSearch software</strong>, achieve the most accurate and confident lipid profiles and identifications more quickly than ever before. For targeted quantitation, LipidSearch software also supports the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=tsq"><strong>Thermo Scientific TSQ triple quadrupole MS systems</strong></a><strong>. </strong>For both lipidomics workflows, LipidSearch software <strong>automatically integrates complex data into a combined report to dramatically reduce data analysis.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_7_f6a5102f0a.jpg" alt="Thermo Scientific™ LipidSearch™ Software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_7_f6a5102f0a.jpg 245w," sizes="100vw" width="924" height="570"></p><h5><strong>Minimum/Recommended PC Requirements</strong></h5><ul><li><strong>OS: </strong>Microsoft® Windows® 7 Professional (x64) or Windows 8 (x64); English language<br><strong>CPU: </strong>Quad - or multi-core CPU, 2 GHz or higher<br><strong>Memory:</strong> 8 GB RAM or higher<br><strong>HDD: </strong>50 GB free space for LipidSearch software; 500 GB hard drive<br>SSD (optional): 50 GB free space for LipidSearch software; 256 GB solid-state drive</li></ul>

Thermo Scientific™ ProSightPD Software

Perform comprehensive analysis of top-down proteomics data with Thermo Scientific™ ProSightPD™ software.

<div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>Confident proteoform identification and characterization</strong></h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div><p><strong>Uncover and confidently characterize proteoforms within complex matrices, including proteoforms containing truncations, alternative splices, and post-translationally modified proteins.</strong>&nbsp;</p><p>Extensive searches make use of <strong>various fragmentation methodologies (e.g., ETD, HCD, UVPD)</strong>, allowing you to make full use of the high-quality <strong>MS/MS data</strong> obtained when searching against the<strong> full biological complexity present in UniProt. </strong>With<strong> Thermo Scientific ProSightPD software, </strong>see what is really there and make the most of your data.</p><div><h3><strong>Key benefits</strong></h3><h5><strong>Sophisticated tools at your fingertips</strong></h5><p><strong>Utilize several search modes</strong> for identifying intact and truncated proteins. ProSightPD software offers the ability to search entire raw files or quickly select specific MS<sup>2</sup> scans for further searching. Information in UniProt enables the identification of modified or processed proteins.</p><h5><strong>Remove the guesswork from database management</strong></h5><p><strong>Import result files </strong>from<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782"><strong> Proteome Discoverer</strong></a><strong> software</strong> or entire proteomes via UniProt formatted XML and FASTA files with Database Manager. Fully customize imported databases using thr<strong> ProSight Annotator GUI </strong>to characterize PTMs, disulfide bonds, mutations and truncations.</p><h5><strong>Intuitive user interface</strong></h5><p><strong>Analyze large datasets</strong> with many data files using <strong>ProSightPD nodes for </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782"><strong>Proteome Discoverer</strong></a><strong> software. </strong>Create multi-step searches and utilize built in results interpretation tools.</p><h3><strong>Search Types</strong></h3><div><p><strong>Different database search modes</strong> allow you to optimize data interrogation based upon your experimental needs. Searches are driven through the use of a node-based system allowing flexibility of experimental design.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_8a96430534.jpeg" alt="Thermo Scientific™ ProSightPD Software: ProSightPD Database Searching." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_8a96430534.jpeg 245w," sizes="100vw" width="960" height="540"></p><div><p>Further information relating to the two search modes, Absolute Mass Search and Biomarker Search.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_2_01f6c31076.jpeg" alt="Thermo Scientific™ ProSightPD Software: Complementary Search Types: Digging Deeper in Complex Samples." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_2_01f6c31076.jpeg 245w," sizes="100vw" width="960" height="540"></p><h3><strong>Database Management</strong></h3><div><p><strong>Confident proteoform identification </strong>is realized through the use of XML-formatted databases, ensuring that nothing is missed.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_3_db19f0cee9.jpeg" alt="Thermo Scientific™ ProSightPD Software: Database Manager: Add remove isoforms and PTMs." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_3_db19f0cee9.jpeg 245w," sizes="100vw" width="960" height="540"></p><div><p><strong>Improvements to data visualization</strong> ensure that you can better interact with and interpret your data, minimizing the time taken to deliver actionable results.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_4_575aa9dff5.jpeg" alt="Thermo Scientific™ ProSightPD Software: LFQ Visualizations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_4_575aa9dff5.jpeg 245w," sizes="100vw" width="960" height="540"></p><h3><strong>ProSightPD nodes</strong></h3><p><strong>Top-Down Workflows:</strong> ProSightPD&nbsp;includes templates to easily build the most commonly used-top down data analysis workflows.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_5_4f28a7434d.jpg" alt="Thermo Scientific™ ProSightPD Software: ProSightPD 2.0: Tailored Workflows for All Types of Data." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_5_4f28a7434d.jpg 245w," sizes="100vw" width="740" height="400"></p></div></div></div></div></div></div></div>

Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software

Transform your mass spectral data into knowledge quickly and easily using Thermo Scientific™ Mass Frontier™ spectral interpretation software. 

<p><strong>Transform your mass spectral data into knowledge quickly and easily using Thermo Scientific™ Mass Frontier™ spectral interpretation software. Take the challenge out of small molecule structural elucidation for metabolism, metabolomics, forensics, natural products, impurities, and degradants studies.</strong></p><p><strong>High-quality, curated experimental spectral and fragmentation libraries</strong> simplify the deconvolution, evaluation, interpretation and management of infusion, and LC, nominal mass, or high resolution mass spectral data. Streamline building and curating your library and sharing it with your colleagues and collaborators. <strong>Mass Frontier software complements Thermo Scientific™ </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer™</strong></a><strong> software</strong> for routine-based small molecule discovery and identification.</p><h3><strong>See what's really there</strong></h3><ul><li>Deconvolute your nominal mass or high resolution LC-MS<sup>n</sup> or infusion data.</li><li>Capture all of your data, no matter how complex, with simple interrogation of all components.</li></ul><h3><strong>Know more unknowns</strong></h3><ul><li><strong>Transform </strong>your small molecule unknown data into actionable knowledge.</li><li><strong>Search </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong>mzCloud™</strong></a><strong> mass spectral library</strong>, the world's most comprehensive and structurally diverse fully curated mass spectral database.</li><li><strong>Maximize the utility of your MS<sup>n</sup> data</strong> for the confident identification of unknown with spectral tree searching.</li><li><strong>Enhance your confidence</strong> in proposed unknown candidate structures by using <strong>Thermo Scientific™ </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"><strong>mzLogic™</strong></a><strong> algorithm</strong>, based on similarity searching to millions of fragment annotated spectra.</li></ul><figure class="image"><img style="aspect-ratio:740/405;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_3_167df5dc63.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: mzCloud mass spectral library." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_3_167df5dc63.jpg 245w," sizes="100vw" width="740" height="405"></figure><h3><strong>Go from spectra to structure</strong></h3><ul><li>The HighChem Fragmentation Library™ includes <strong>&gt;54,000 fragmentation schemes, ∼ 220,000 individual reactions, and 256,000 chemical structures</strong>, all from peer-reviewed literature.</li><li>Spectral trees are fully annotated with fragmentation structures.</li><li><strong>FISh (fragment ion search) detection</strong> enables detection of structurally related compounds, indicating the site of transformations for drug metabolites.</li></ul><figure class="image"><img style="aspect-ratio:740/350;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_2_37f024ef32.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_2_37f024ef32.jpg 245w," sizes="100vw" width="740" height="350"></figure><h3><strong>Build your pathways</strong></h3><ul><li>Interactively search more than <strong>370 curated</strong> <strong>biochemical pathways</strong> with<strong> Thermo Scientific™ Metabolika™</strong> pathway mapping.</li><li>Create and understand fragmentation pathways and mechanisms using advanced fragmentation scheme knowledge base drawn from more than 99% of published fragmentation pathways.</li></ul><figure class="image"><img style="aspect-ratio:740/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_4_7d1b4f8671.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: An example of an included Metabolika biological pathway, which can be fully edited and added to." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_4_7d1b4f8671.jpg 245w," sizes="100vw" width="740" height="410"></figure><h3><strong>Store, share and utilize your knowledge</strong></h3><ul><li><strong>Translate your data into actionable knowledge:</strong> create, curate and store your own spectral libraries and pathways.</li><li><strong>Ensure the highest quality proprietary libraries</strong> with full curation and mass recalibration tools.</li></ul><figure class="image"><img style="aspect-ratio:740/345;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_5_e89924a0b7.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: The new curator module automates spectral tree curation, fragment annotation and mass recalibration for your proprietary compounds to build a high quality curated local MSn library." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_5_e89924a0b7.jpg 245w," sizes="100vw" width="740" height="345"></figure>

Thermo Scientific Xcalibur Software

Confidently control, acquire, and interrogate data from a range of Thermo Scientific LC-MS systems and related instruments using Thermo Scientific Xcalibur software.

<div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>Acquire high-quality data, regardless of your mass spectrometry platform</strong></h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div><p><strong>Confidently control, acquire, and interrogate data from a range of Thermo Scientific LC-MS systems and related instruments using Thermo Scientific Xcalibur software.</strong></p><p>With simple method set-up, data acquisition, in-depth data interrogation and reporting tools as well as seamless integration to a range of additional Thermo Scientific application-specific software and cloud-based tools, Xcalibur software serves as the powerful, yet easy-to-use platform for your LC-MS analyses.</p><div><h3><strong>Key benefits of Xcalibur data acquisition software</strong></h3><h5><strong>Comprehensive toolset and landing page for all your installed applications</strong></h5><p>With a homepage that conveniently hosts all your installed applications and provides easy access to instrument control, method development, data acquisition, and reviewing, Xcalibur software makes it quick and easy to navigate through your workflows.</p><h5><strong>Ad-hoc data reviewing and quantitative capabilities</strong></h5><p>When you need to interrogate your data—from elemental compositions, plotting chromatograms, spectral views, performing library searches and much more—or perform basic quantitation, the <strong>FreeStyle and Quan Browser applications included with the Xcalibur software</strong> allow you to gain insights into your data.</p><h5><strong>Integration with cloud-based tools for productivity</strong></h5><p>The landing page for the Xcalibur software not only serves as the configurable portal to your applications, you can also receive application update information, ensuring that you have the latest version of software. Additionally, cloud-based applications allow you to remotely monitor your systems and drive productivity.</p><h3><strong>About Xcalibur data acquisition software</strong></h3><div><p>The <strong>customizable landing page (or Roadmap View) </strong>enables easy access to all your installed applications, from those included with Xcalibur software to your application-specific software packages.</p><p>Not only can you receive notification when there is a new version of any installed application, you can also access the <a target="_blank" rel="noopener noreferrer" href="https://thermo.flexnetoperations.com/control/thmo/login" aria-label="XApp Store - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://thermo.flexnetoperations.com/control/thmo/login$xappstore"><strong>XApp Store</strong></a> for more information on the latest applications and try many of them for free for 60 days.</p><p>A host of<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong> cloud-based applications </strong></a>are available from the Roadmap View, including <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/lc-ms-data-acquisition-software/xcalibur-data-acquisition-interpretation-software.html?open=almanac#almanac"><strong>Almanac</strong></a>, which allows for web- or smartphone-based monitoring of your MS.</p><figure class="image"><img style="aspect-ratio:740/400;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_35361ffe4b.jpg" alt="Thermo Scientific™ Xcalibur™ Software: The customizable landing page (or Roadmap View)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_35361ffe4b.jpg 245w," sizes="100vw" width="740" height="400"></figure><div><p>Regardless of the experimental design, it should be easy to set-up your mass spectrometer to acquire high-quality data. <strong>The Method Editor allows you to quickly and simply create acquisition methods</strong> that control the necessary parameters and drive your acquisition requirements.</p><p>For the <strong>latest generation of mass spectrometers,</strong> there are numerous <strong>pre-configured method templates </strong>arranged by application area. These methods allow users of any experience level to acquire data relevant to their questions. Alternatively, the templates can be used as a starting point to facilitate rapid method development. Each method covers all instrument parameters as well as those for data acquisition, reducing complexity of set up.</p><figure class="image"><img style="aspect-ratio:740/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_2_baa5610a5d.jpg" alt="Thermo Scientific™ Xcalibur™ Software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_2_baa5610a5d.jpg 245w," sizes="100vw" width="740" height="410"></figure><div><p>Modern visualization tools allow you to rapidly answer questions as you qualitatively interrogate your data.</p><p>The <strong>FreeStyle application,</strong> <strong>provided with the Xcalibur software</strong>, allows you to interact with your data from simple chromatographic detection and integration to spectral library searching, spectral deconvolution or diagnostic plots.</p><figure class="image"><img style="aspect-ratio:740/400;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_3_221d41f756.jpg" alt="Thermo Scientific™ Xcalibur™ Software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_3_221d41f756.jpg 245w," sizes="100vw" width="740" height="400"></figure><div><p><strong>For rapid quantitation of a small number of targets, </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/lc-ms-data-acquisition-software/xcalibur-data-acquisition-interpretation-software.html?open=quan#quan"><strong>Quan Browser</strong></a><strong>, included with the Xcalibur software, </strong>allows you to quickly identify component peaks, determine integration criteria, and visualize calibration curves, integrations, and results.</p><p><strong>Xcalibur software allows you to interactively edit </strong>processing parameters, report data and rapidly access your quantitative information while processing your quantitation sequences.</p><figure class="image"><img style="aspect-ratio:740/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_4_40201472f4.jpg" alt="Thermo Scientific™ Xcalibur™ Software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_4_40201472f4.jpg 245w," sizes="100vw" width="740" height="410"></figure><h3><strong>FreeStyle data review application for Xcalibur software</strong></h3><div colctrl-id="2-1"><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><p><strong>For the qualitative analysis of any mass spectral data (.raw or .sld) in a highly visual environment, FreeStyle allows you to display chromatograms and spectra, detect and integrate chromatographic peaks, search mass spectral libraries, simulate mass spectra, subtract background spectra, apply scan filters, annotate plots with text and graphics, create and save layouts, and view the status of various instrument parameters during data acquisition.</strong></p></div></div></div></div><figure class="image"><img style="aspect-ratio:800/195;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_5_6a0f093b2f.jpg" alt="Thermo Scientific™ Xcalibur™ Software: FreeStyle data review application for Xcalibur software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_5_6a0f093b2f.jpg 245w," sizes="100vw" width="800" height="195"></figure><div><p>With a familiar interface, the tools needed to access the information stored in your data are readily accessible. <strong>HRAM</strong> data intelligence means that <strong>data is displayed according to the mass accuracy of the MS system used to acquire it.</strong></p><p><strong>When it comes to visualizing your data, </strong>make use of unlimited plots, quick creation of plots from spectra, spectral annotation with structures, text and graphics, trending/diagnostic plots for status parameters, and scan header entries; float/dock/hide multiple windows and split across monitors to really get the most out of your data.</p><figure class="image"><img style="aspect-ratio:740/400;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_6_e6a704b2dc.jpg" alt="Thermo Scientific™ Xcalibur™ Software: FreeStyle data review application for Xcalibur software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_6_e6a704b2dc.jpg 245w," sizes="100vw" width="740" height="400"></figure><p><strong>Create and customize highly visual map views of complex datasets</strong>, with simple modification of any plots and data views. Then use those views to generate your own visual reports, enhancing your insights.</p><figure class="image"><img style="aspect-ratio:740/420;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_7_1ac807c5fa.jpg" alt="Thermo Scientific™ Xcalibur™ Software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_7_1ac807c5fa.jpg 245w," sizes="100vw" width="740" height="420"></figure><p><strong>High-resolution protein mass spectral data </strong>can be deconvoluted using <strong>the Xtract deconvolution algorithm</strong>, contained in the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1837"><strong>Thermo Scientific BioPharma Finder</strong></a><strong> software</strong> to obtain the intact mass and a single, deconvoluted mass spectrum for the protein components within the charge state envelope.</p><figure class="image"><img style="aspect-ratio:740/420;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_8_c6820a5e8c.jpg" alt="Thermo Scientific™ Xcalibur™ Software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_8_c6820a5e8c.jpg 245w," sizes="100vw" width="740" height="420"></figure><div><p>Discovering what is in your data doesn’t need to be challenging. The ability to search the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong>mzCloud</strong></a><strong> mass spectral library,</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1760"><strong>mzVault</strong></a>,<strong> or NIST </strong>with a single-click means that compound identification from MS and MS<sup>2</sup> data is quick and easy. You can also export spectral data to the NIST application.</p><p>Elemental compositions can be calculated using MS and MS<sup>2</sup> data, with isotopic simulations for added confidence.</p></div><div><h3><strong>Quan Browser application for Xcalibur software</strong></h3><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><p><strong>When you require a quick answer, the Quan Browser, included in the Xcalibur software, allows you to determine the concentration of analytes within your sample set when there is a small number of targets.</strong></p><figure class="image"><img style="aspect-ratio:800/195;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_9_781c806926.jpg" alt="Thermo Scientific™ Xcalibur™ Software: Quan Browser application for Xcalibur software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_9_781c806926.jpg 245w," sizes="100vw" width="800" height="195"></figure><p>You can <strong>review or rework </strong>your component peak identifications and integration criteria, calibration curves for your quantitation standards, your standards, QC samples, blanks and unknowns with interactive editing of processing parameters.</p><figure class="image"><img style="aspect-ratio:740/385;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Xcalibur_Software_10_55b04eedae.jpg" alt="Thermo Scientific™ Xcalibur™ Software: Quan Browser application for Xcalibur software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Xcalibur_Software_10_55b04eedae.jpg 245w," sizes="100vw" width="740" height="385"></figure><p><strong>The Quan Browser, included in the Xcalibur software,</strong> incorporates a results view where you can observe the data used to create calibration curves and peak integrations. Quantitation sequences, including bracketed sequences, can be processed, and any processing parameters interactively edited with the results are dynamically updated.</p><p>For <strong>larger quantitative studies</strong> we recommend either<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/77"><strong>Thermo Scientific TraceFinder software</strong></a><strong> </strong>for high-throughput analyses, or <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon Chromatography Data System (CDS) software</strong></a> for regulated studies, such as regulated bioanalysis, which require tools for compliance.</p></div></div></div></div></div></div></div></div></div></div></div></div>

Thermo Scientific Compound Discoverer software

Compound Discoverer software addresses small molecule identification needs and workflows including untargeted metabolomics, drug metabolism, impurity, E&L, environmental, food & beverage, and forensic research.

Thermo Scientific mzLogic Data Analysis Algorithm

mzLogic solves a key challenge in small molecule identification by enabling the characterization of unknowns when high-quality MSⁿ data yield no matches in spectral libraries.

<div style="height:auto;" id="mzlogic"><div><div style="display:block;"><div><div><div container-id="cq-colctrl-lt8" comp-id="B2"><div><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>Accelerate unknown small molecule identification with mzLogic</strong></h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div><p><strong>The mzLogic data analysis algorithm addresses one of the biggest challenges for small molecule characterization and identification-when, despite having sufficient high-quality and high-resolution MS<sup>n</sup> mass spectrometric data, there is no match in any spectral library, meaning you have an unknown.</strong></p><p>mzLogic combines the extensive fragmentation information available within the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong>mzCloud</strong></a> online advanced mass spectral library with the information in numerous online structural databases. As a result, mzLogic allows you to take thousands of potential structural candidates and automatically rank them based upon spectral similarity and sub-structural information – delivering confident candidates for your true unknowns.</p></div></div></div></div></div></div><div><h3><strong>Key benefits</strong></h3><h5><strong>Combine the benefits of multiple libraries and databases&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p>The ability of mzLogic to combine the extensive, high-quality and high-resolution accurate mass, multi-stage (MS<sup>n</sup>) fragmentation information in <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764">mzCloud</a>, with numerous online structural databases provides the greatest chance to confidently identify unknowns.</p><h5><strong>Take lengthy guesswork out of unknown identification&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p>mzLogic uses the data from <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764">mzCloud </a>and multiple other data sources to identify common sub-structural features from your MS<sup>n</sup> data, explaining as much of your fragmentation data as possible before the next stages of identification.</p><h5><strong>Go from thousands of potential candidates to a handful</strong></h5><p>Using elemental composition to search structural databases can return thousands of potential candidates; mzLogic uses MS<sup>n</sup> data and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764">mzCloud</a> fragmentation database information to explain as much structural information as possible, reducing thousands of potentials to a handful of confident candidates based upon structural similarity.</p><div><div><figure class="image"><img style="aspect-ratio:740/345;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Logic_Data_Analysis_Algorithm_05478bcf43.jpg" alt="Thermo Scientific mzLogic Data Analysis Algorithm: Take the guesswork out of small molecule unknown identification through the combination of mzLogic algorithm and the high quality, structurally diverse mass spectral fragmentation information contained within mzCloud, to propose and confirm structural identification." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Logic_Data_Analysis_Algorithm_05478bcf43.jpg 245w," sizes="100vw" width="740" height="345"></figure><h3><strong>How does your data relate to mass spectral libraries?</strong></h3><div style="height:auto;" id="massspectrallibraries"><div><div><div><div><p>Whether you are working to better characterize and understand <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/pre-clinical-and-clinical-drug-testing/metabolite-identification.html">metabolism and drug analytes</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/food-beverage/food-analytical-testing/food-contact-materials.html">food and environmental samples</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/forensics/antidoping/doping-control-retrospective-analysis.html">designer drugs</a> or <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/pharma-biopharma-learning-center/pharmaceutical-qa-qc-information/extractables-leachables-information.html">extractables and leachables</a>, the use of mass spectral libraries and online databases can help identify compounds in your samples. However, with increasing crossover between compound classes, new impurities, subtle compound transformations or metabolism and degradation products, sometimes no compelling match is made to the libraries you use.</p><p>Acquiring comprehensive high-resolution accurate- mass MS/MS and MS<sup>n</sup> data has been simplified with data acquisition tools such as <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1763"><strong>AcquireX</strong></a>, and general hardware improvements. Obtaining mass spectral libraries that contain broad chemical diversity, extensive fragmentation and reliable and concise data has been the biggest challenge.</p><p>The<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764">mzCloud</a> mass spectral database is the largest (in terms of total spectra and data per compound) publicly available online mass spectral fragmentation library. It contains high-resolution accurate-mass (HRAM) spectra, including exhaustive high-resolution MS/MS and multi-stage MS<sup>n</sup> spectra. Each entry contains considerable metadata and, most importantly, has been extensively curated (i.e., filtered, recalibrated, averaged, and annotated) to provide absolute confidence in the quality of its contents.</p><figure class="image"><img style="aspect-ratio:908/323;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Logic_Data_Analysis_Algorithm_2_959e175e53.jpg" alt="Thermo Scientific mzLogic Data Analysis Algorithm: High quality MS, MS/MS and MSn data can be used to interrogate the fully curated and annotated mass-spectral fragmentation library, mzCloud. Common substructural information can be used from the extensive fragmentation information to aid in unknown compound identification using mzLogic algorithm." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Logic_Data_Analysis_Algorithm_2_959e175e53.jpg 245w," sizes="100vw" width="908" height="323"></figure><h3><strong>How does mzLogic identify unknowns?</strong></h3><div style="height:auto;" id="identifyunknowns"><div><div><div><div><p>Each <strong>mzCloud library</strong> entry contains extensive fragmentation information, which has been acquired using both a range of collision energies and fragmentation techniques (collision induced and higher energy collisional dissociation, CID and HCD). When this information is combined with the broad chemical diversity of library entries, the likelihood that some or all of an unknown structure can be matched against an existing fragment within the library increases.</p><figure class="image"><img style="aspect-ratio:927/394;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Logic_Data_Analysis_Algorithm_3_b50ae0af70.jpg" alt="Thermo Scientific mzLogic Data Analysis Algorithm: mzLogic reduction of putative candidates using online structural databases and the extensive fragmentation information contained within mzCloud." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Logic_Data_Analysis_Algorithm_3_b50ae0af70.jpg 245w," sizes="100vw" width="927" height="394"></figure></div></div></div></div></div><div style="height:auto;" id="identifyunknowns"><div><div><div><div><p>As shown in the figure above, mzLogic is available as part of the<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong> Mass Frontier software</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer software</strong></a> packages, and works as follows:</p><ol style="list-style-type:upper-latin;"><li>Online databases, such as <a target="_blank" rel="noopener noreferrer" href="http://www.chemspider.com" aria-label="ChemSpider - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="http://www.chemspider.com/$chemspider">ChemSpider</a>, which contains more than 70 million structures, can be searched using an elemental composition. Even with the ability to use the high-resolution and accurate mass capabilities of <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;search=orbitrap"><strong>Orbitrap mass analyzers</strong></a> to reveal fine isotopic information, many hundreds or even thousands of potential structures could match the elemental composition.</li><li>The high-quality fragmentation information contained within mzCloud is <strong>compared to experimental data.</strong></li><li>mzLogic rapidly identifies structurally similar fragments through forward and reverse searches.</li><li>Based upon the identified sub-structures, the structural candidates from the online search are ranked in order of how much of the structure can be explained through the sub-structural matching.</li><li>This ranking based upon the use of real data, takes many hundreds or thousands of potential candidates and reduces them to a significantly smaller list of putative structures, with visualization tools to explain the ranking and structure accounted for by library fragments.</li></ol><div><div><h3><strong>What is the next step to confirm any potential candidates?</strong></h3><div style="height:auto;" id="potentialcandidates"><div><div><div><div><p>The ranked results from using mzLogic will either show that all the structure can be accounted for in that candidate or that there is still some structural information from the proposed candidate that cannot be accounted for. MS/MS and/or MS<sup>n</sup> fragmentation spectra typically contains substantial amounts of structural information, which can be further investigated using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier software</strong></a>.</p><p>Where a complete, in-depth analysis of MS<sup>n</sup> fragmentation data is required,<strong> </strong>Mass Frontier software provides visualization and understanding of fragmentation pathways using extensive MS<sup>n</sup> data. The<strong> Fragments and Mechanism tool </strong>simulates unimolecular dissociation of the proposed structures, including rearrangements and predicted fragments, and can be used to explain the experimental fragmentation data through fragment annotations to help identify which candidates are indeed plausible. Rather than coded fragmentation algorithms, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier software</strong></a><strong> bases fragmentation on mechanisms published in more than 95% of all peer-reviewed scientific journals.</strong></p><p>This approach adds greater certainty to putative structure identification through the deep fragmentation and characterization information provided by the high-quality data and extensive spectral trees in <strong>mzCloud.</strong></p><figure class="image"><img style="aspect-ratio:673/324;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Logic_Data_Analysis_Algorithm_4_1d09064e9e.jpg" alt="Thermo Scientific mzLogic Data Analysis Algorithm: Confident structural elucidation using automated fragmentation annotation of MSn spectral trees. Fragmentation pathways can also be predicted based upon submission of a structure and makes full use of the HighChem Fragmentation Library. This library contains information from more than 52,000 fragmentation schemes, 217,000 individual reactions, 256,000 chemical structures and 216,000 decoded mechanisms from peer reviewed literature." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Logic_Data_Analysis_Algorithm_4_1d09064e9e.jpg 245w," sizes="100vw" width="673" height="324"></figure></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

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