Meeting EU Drinking Water Standards: The Critical Role of Sample Prep in Trace Contaminant Analysis

Although modern agriculture needs to be based on accurate real-time data on soil, plant, and environmental conditions, affordable, sufficiently sensitive, and robust monitoring devices for this purpose are currently missing. According to scientists, low-cost sensors based on new smart materials and printing technologies offer a suitable solution. The results of multidisciplinary research thus far and proposals for the development of these devices have been presented by researchers from Czechia, Great Britain, Spain, and the USA in a review article in the prestigious journal <a target="_blank" rel="noopener noreferrer" href="https://www.nature.com/articles/s41467-026-68778-6#Abs1">Nature Communications</a>.“Sensor technologies for monitoring plant health are still in their infancy. Only simple sensors capable of monitoring basic parameters such as pH, soil moisture, or temperature are commonly available on the market. However, if farmers are to face current challenges, including climate change, and ensure sufficient food for humanity, they need much more effective tools that will enable them to monitor, for example, various pathogens, including bacteria and fungi. In our opinion, a suitable solution is a combination of new smart materials and printing for the production of inexpensive, durable, and scalable materials,” said the article’s first author, David Panáček from CATRIN, who worked on the study during his internship at Imperial College London.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CATRIN_Soucasne_senzory_nestaci_Vedci_navrhuji_novou_cestu_ke_sledovani_zdravi_rostlin_b4014952a3.jpg" alt="CATRIN: David Panáček" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CATRIN_Soucasne_senzory_nestaci_Vedci_navrhuji_novou_cestu_ke_sledovani_zdravi_rostlin_b4014952a3.jpg 208w," sizes="100vw" width="1536" height="1152">Sensors for monitoring plant health, for example, lag behind similar devices used in human medicine. According to the authors, advances in materials science, which will enable the development of scalable sensor technologies, play a key role in this potential shift. “Printing techniques, including inkjet printing, screen printing, aerosol printing, 3D printing, and direct laser writing, offer flexible ways to produce flexible sensors, large-area sensors, and sensors integrated directly into plants. The review article summarizes recent advances in printable low-dimensional materials for agricultural sensors, analyzes their physico-chemical properties in relation to sensor performance, and discusses key challenges and future opportunities requiring interdisciplinary integration,” said one of the corresponding authors, Michal Otyepka.The research brought together materials scientists, chemists, biologists, sensing experts, and printing technology specialists. Materials research and the use of graphene-based smart materials were led by scientists from CATRIN at Palacký University and VŠB-Technical University of Ostrava. Plant biologists from CATRIN contributed their knowledge of plant development, their responses to stress conditions, and the monitoring of their properties. Researchers from Imperial College London took care of the electronics, while representatives from<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/36"> CEITEC – VUT</a> focused on printing technologies. The team also included leading experts in sensing from the Catalan Institute of Nanoscience and Nanotechnology in Barcelona, and Joseph Wang of the University of California San Diego, the “father of sensing and electrochemistry,” also contributed his extensive knowledge.“This is a groundbreaking study on this topic, which has managed to attract some truly big names in their respective fields. Last but not least, the study demonstrates that interdisciplinarity at CATRIN gives rise to completely new and promising research topics, such as plant sensing and its use for studying plant-environment interactions and smart agriculture,” added another corresponding author, Nuria De Diego.

Current sensors are not good enough. Scientists propose a new way to monitor plant health

In this episode of the Concentrating on Chromatography podcast, host David Oliva interviews Ainslie Chen about her cutting-edge research on hemoglobin variant testing using liquid chromatography-high resolution mass spectrometry (LC-HR-MS). Ainslie discusses her novel method for separating and identifying hemoglobin subunits with mass shifts less than 1 Da, overcoming critical limitations in conventional clinical assays.Hear firsthand how her team developed an LC-HR-MS workflow using a C4 reversed-phase column, tackled technical challenges (including why C18 columns fell short), and achieved unprecedented sensitivity for variant detection in both adult and neonatal samples. The conversation touches on the potential of mass spectrometry to revolutionize clinical diagnostics, the importance of reproducibility, barriers to adoption in routine labs, and how teamwork drives scientific innovation.Perfect for analytical chemists, clinical laboratorians, and anyone interested in the future of protein variant analysis, this episode also features Ainslie’s advice for early-career scientists and insights from her first ACS poster presentation.<h4>Key Highlights:</h4><ul><li>Motivation behind improving hemoglobinopathy testing &nbsp;</li><li>Technical advantages of LC-HR-MS over gene sequencing and CE &nbsp;</li><li>The crucial role of the C4 column in resolving challenging samples &nbsp;</li><li>Critical parameters for reproducible LC-HR-MS workflows &nbsp;</li><li>Barriers and outlook for clinical adoption of advanced mass spectrometry &nbsp;</li><li>The value of teamwork and mentorship in scientific research &nbsp;</li><li>Direct insights from recent ACS conference experiences</li></ul><h3>Video transcription</h3>In this interview, Ainslie Chen discusses her research on improving the detection and identification of hemoglobin variants using liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS). The work addresses limitations of conventional hemoglobinopathy testing, which often struggles to resolve very small mass differences between closely related hemoglobin subunits. Because even a single amino-acid substitution can significantly alter hemoglobin structure and function, high analytical resolution is essential for accurate diagnosis of conditions such as anemia and sickle cell disease.Chen explains why her team selected LC-HRMS over established clinical techniques like capillary electrophoresis and gene sequencing. While sequencing offers excellent accuracy, it is time-consuming, costly, and requires extensive sample preparation, making it impractical for routine clinical workflows. Capillary electrophoresis enables subunit separation but lacks the resolving power needed to distinguish variants differing by less than one Dalton. In contrast, high-resolution mass spectrometry provides both structural specificity and sensitivity, enabling confident identification of subtle hemoglobin variants with minimal sample preparation.A key methodological insight from the project was the use of a C4 reversed-phase LC column instead of the more common C18 column. Chen describes how the shorter carbon chain and larger pore size of C4 columns improved protein elution and reduced denaturation, leading to more reproducible separations. Critical parameters for reproducibility included consistent mobile-phase composition (0.1% formic acid in water and acetonitrile), controlled temperature (60 °C for LC, ~320 °C capillary temperature), and stable chromatographic conditions.Beyond hemoglobin analysis, Chen highlights the broader potential of high-resolution mass spectrometry in proteoform analysis and clinical diagnostics, including emerging applications in cancer detection. She acknowledges current barriers to clinical adoption—such as energy demands and instrument infrastructure—but points to advances like miniaturized mass spectrometers as promising steps toward wider use. The interview concludes with advice for young scientists: don’t hesitate to reach out to mentors, embrace collaboration, and view analytical chemistry as a versatile tool that bridges medicine, biology, environmental science, and beyond.<blockquote>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</blockquote><blockquote><h4>Concentrating on Chromatography Podcast</h4>Dive into the frontiers of chromatography, mass spectrometry, and sample preparation with host David Oliva. Each episode features candid conversations with leading researchers, industry innovators, and passionate scientists who are shaping the future of analytical chemistry. From decoding PFAS detection challenges to exploring the latest in AI-assisted liquid chromatography, this show uncovers practical workflows, sustainability breakthroughs, and the real-world impact of separation science. Whether you’re a chromatographer, lab professional, or researcher you'll discover inspiring content!You can find Concentrating on Chromatography Podcast in podcast apps:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://open.spotify.com/show/1wZg67rCjoGju4yhqxI3tL">Spotify</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podcasts.apple.com/tz/podcast/concentrating-on-chromatography/id1788429185">Apple podcast</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podscan.fm/podcasts/concentrating-on-chromatography">podscan</a></li></ul>and on <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/@ChromatographyTalk/videos">YouTube channel</a></blockquote>

Unlocking Hemoglobin Variant Detection: LC-HR-MS Breakthrough with Ainslie Chen

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The Czech Advanced Technology and Research Institute (CATRIN) at Palacký University is a cutting-edge scientific hub dedicated to advancing research in the fields of nanotechnology, biotechnology, and biomedicine. At its core, CATRIN boasts outstanding scientific teams, featuring international researchers. We emphasize interdisciplinarity, foster global collaborations, and work to translate our research findings into practical applications.

CATRIN

Organomation, founded in 1959, designs and manufactures high-quality nitrogen evaporators and extraction systems. Known for innovation and durability, their lab instruments are used globally for efficient sample preparation with strong customer support.

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Thermo Scientific™ LipidSearch™ Software

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

<h3>The promise of lipidomics</h3>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.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. 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.<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>Automated identification and relative quantitation with LipidSearch software</h3>LipidSearch software, developed jointly by Professor Ryo Taguchi and MKI, (Tokyo, Japan), is a powerful new tool for 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. 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">Thermo Scientific Orbitrap™ technology</a> with exclusive LipidSearch software, the most accurate and confident lipid profiles and identifications can be achieved more quickly than ever before.<ul><li>Compatible with data acquired from Thermo Scientific™ triple quadrupole, ion trap, and Orbitrap mass spectrometers</li><li>Largest lipid database containing &gt;1.5 million lipid ions and their predicted fragment ions</li><li>Identification algorithms for product ion, precursor ion and neutral loss scans</li><li>Alignment of lipid data obtained from multiple LC-MS and MSn experiments</li><li>Relative quantitation of identified lipid precursors in either LC-MS or infusion experiments</li></ul>The database contains defined structures and includes more than 1.5 million lipid ions and their predicted fragment ions. Fragmentation patterns are calculated and improved by using expert knowledge based on experimental results. Lipid adduct ions and MSn fingerprints are also included. Data are stored in XML files and are easily customized.<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>LipidSearch software provides an easy-to-use, automated workflow</h3>From peak detection to relative quantitaiton and identification, LipidSearch software provides an easy-to-use, automated workflow.<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"><h4>Step 1 Data Analysis Module — Peak Detection</h4><ul><li>Raw data file reading</li><li>Smart peak detection</li></ul>The peak detection engine implemented in LipidSearch software can handle different MS experiments and platforms. The combination of unique peak detection algorithms, tailored for each experiment and instrument type, and mass spectral processing functions enables accurate peak detection.LipidSearch software provides two different identification algorithms as well as scoring algorithms:<ul><li>A group-specific algorithm 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>The comprehensive ID algorithm 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 set of scoring algorithms to filter out lower probability results</li></ul><h4>Step 2 Identification Module — Lipid Identification</h4><ul><li>Group-specific ID (targeted)</li><li>Comprehensive ID (untargeted)</li><li>Scoring algorithms</li></ul><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"><h4>Step 3 Quantitation Module — Alignment and Quantitation</h4><ul><li>XIC peak integration</li><li>Retention time alignment</li><li>Relative quantitation</li><li>Statistical analysis</li></ul>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.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 t-test statistics. The mean peak area result for each group is displayed in a “box and whisker” plot.<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>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">Thermo Scientific™ Orbitrap™ technology</a> with exclusive LipidSearch software, 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">Thermo Scientific TSQ triple quadrupole MS systems</a>. For both lipidomics workflows, LipidSearch software automatically integrates complex data into a combined report to dramatically reduce data analysis.<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"><h5>Minimum/Recommended PC Requirements</h5><ul><li>OS: Microsoft® Windows® 7 Professional (x64) or Windows 8 (x64); English language CPU: Quad - or multi-core CPU, 2 GHz or higher Memory: 8 GB RAM or higher HDD: 50 GB free space for LipidSearch software; 500 GB hard drive 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>Confident proteoform identification and characterization</h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div>Uncover and confidently characterize proteoforms within complex matrices, including proteoforms containing truncations, alternative splices, and post-translationally modified proteins.&nbsp;Extensive searches make use of various fragmentation methodologies (e.g., ETD, HCD, UVPD), allowing you to make full use of the high-quality MS/MS data obtained when searching against the full biological complexity present in UniProt. With Thermo Scientific ProSightPD software, see what is really there and make the most of your data.<div><h3>Key benefits</h3><h5>Sophisticated tools at your fingertips</h5>Utilize several search modes for identifying intact and truncated proteins. ProSightPD software offers the ability to search entire raw files or quickly select specific MS2 scans for further searching. Information in UniProt enables the identification of modified or processed proteins.<h5>Remove the guesswork from database management</h5>Import result files from<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782"> Proteome Discoverer</a> software or entire proteomes via UniProt formatted XML and FASTA files with Database Manager. Fully customize imported databases using thr ProSight Annotator GUI to characterize PTMs, disulfide bonds, mutations and truncations.<h5>Intuitive user interface</h5>Analyze large datasets with many data files using ProSightPD nodes for <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782">Proteome Discoverer</a> software. Create multi-step searches and utilize built in results interpretation tools.<h3>Search Types</h3><div>Different database search modes 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.<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"><div>Further information relating to the two search modes, Absolute Mass Search and Biomarker Search.<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"><h3>Database Management</h3><div>Confident proteoform identification is realized through the use of XML-formatted databases, ensuring that nothing is missed.<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"><div>Improvements to data visualization ensure that you can better interact with and interpret your data, minimizing the time taken to deliver actionable results.<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"><h3>ProSightPD nodes</h3>Top-Down Workflows: ProSightPD&nbsp;includes templates to easily build the most commonly used-top down data analysis workflows.<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"></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. 

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.High-quality, curated experimental spectral and fragmentation libraries 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. Mass Frontier software complements Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759">Compound Discoverer™</a> software for routine-based small molecule discovery and identification.<h3>See what's really there</h3><ul><li>Deconvolute your nominal mass or high resolution LC-MSn or infusion data.</li><li>Capture all of your data, no matter how complex, with simple interrogation of all components.</li></ul><h3>Know more unknowns</h3><ul><li>Transform your small molecule unknown data into actionable knowledge.</li><li>Search <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764">mzCloud™</a> mass spectral library, the world's most comprehensive and structurally diverse fully curated mass spectral database.</li><li>Maximize the utility of your MSn data for the confident identification of unknown with spectral tree searching.</li><li>Enhance your confidence in proposed unknown candidate structures by using Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762">mzLogic™</a> algorithm, 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>Go from spectra to structure</h3><ul><li>The HighChem Fragmentation Library™ includes &gt;54,000 fragmentation schemes, ∼ 220,000 individual reactions, and 256,000 chemical structures, all from peer-reviewed literature.</li><li>Spectral trees are fully annotated with fragmentation structures.</li><li>FISh (fragment ion search) detection 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>Build your pathways</h3><ul><li>Interactively search more than 370 curated biochemical pathways with Thermo Scientific™ Metabolika™ 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>Store, share and utilize your knowledge</h3><ul><li>Translate your data into actionable knowledge: create, curate and store your own spectral libraries and pathways.</li><li>Ensure the highest quality proprietary libraries 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>

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