Automated Rapid Organic-Solvent-Free Metabolomics via Arrow–GC–MS: An Optimized Green Workflow for Human Plasma Profiling

Coupling micro-flow liquid chromatography with Q-Orbitrap high-resolution mass spectrometry for greener, comprehensive pesticide residue analysis in fruits and vegetables

Size distribution and elemental analysis of fine particles from Li-ion battery cell fire

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Wiley KnowItAll GC-MS Drug Classification Model Package

The KnowItAll GC-MS Drug Classification Model Package categorizes spectra by drug class—even without a match. Covers opioids, steroids, fentanyls, with 99% accuracy for reliable forensics.

<h4><strong>Efficient Drug Classification with KnowItAll GC-MS Models</strong></h4><p>In drug analysis, rapid identification is essential—especially when new substances outpace reference spectra. The <strong>KnowItAll GC-MS Drug Classification Model Package</strong> helps labs <strong>classify unknown spectra</strong>, even without exact spectral matches.</p><p>With <strong>99% accuracy</strong>, these models cover key drug classes like <strong>opioids, steroids, fentanyls</strong>, and more. Ideal for <strong>forensics, toxicology, and law enforcement</strong>, the package enhances your ability to:</p><ul><li>Classify spectra not found in libraries</li><li>Validate spectral search results</li><li>Make fast, first-pass identifications</li><li>Run batch or automated classifications using the <strong>KnowItAll Automate SDK</strong></li></ul><h5><strong>Included Drug Models:</strong></h5><ul><li>Natural &amp; synthetic opioids</li><li>Fentanyls</li><li>Piperazines</li><li>Benzodiazepines</li><li>Steroids</li><li>Ketamine, cocaine, cathinones &amp; related compounds</li></ul><p><strong>Requirements:</strong> KnowItAll software + AVX-compatible system.<br><strong>Learn more: </strong><a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com">sciencesolutions.wiley.com</a></p>

Thermo Scientific LCQUAN Quantitative Software

LCQUAN is a robust, 21 CFR Part 11-compliant software for LC-MS/MS bioanalysis, providing complete tools for data acquisition, review, and secure management in drug development workflows.

<h4><strong>21 CFR Part 11-compliant software for quantitative LC-MS/MS data acquisition and management</strong></h4><p><strong>Thermo Scientific™ LCQUAN™ quantitative software is a robust, regulatory-compliant data system tailored for bioanalytical laboratories conducting LC-MS/MS assays. Developed in close collaboration with pharmaceutical industry experts, LCQUAN provides all the tools needed to acquire, process, review, and securely manage quantitative data across global drug development workflows.</strong></p><h3><strong>Key Features</strong></h3><h4><strong>Regulatory Compliance</strong></h4><ul><li>Fully compliant with FDA 21 CFR Part 11 requirements for electronic records and signatures</li><li>Enables secure submission of electronic documents to regulatory agencies, including the FDA</li></ul><h4><strong>Comprehensive Workflow</strong></h4><ul><li>Guides users step-by-step through acquisition, method development, data review, processing, reporting, and export</li><li>Supports import of sequence information from external systems</li><li>Streamlines interaction with Thermo Scientific™ Watson LIMS™ for GLP-compliant bioanalytical studies</li></ul><h4><strong>Secure Data Management</strong></h4><ul><li>Enables data processing on networked systems, including secure remote disks</li><li>Centralized, workbook-style data storage for easy archiving and retrieval</li><li>Multi-level user privileges—from full system access to read-only modes</li></ul><h4><strong>Seamless LIMS Integration</strong></h4><ul><li>Bi-directional communication with Watson LIMS facilitates study tracking, chromatogram review, auditing, and compliance</li><li>Optimized for regulated pharmaceutical workflows from discovery through clinical trials</li></ul><h4><strong>Proven Platform</strong></h4><ul><li>Part of an integrated Thermo Scientific LC-MS/MS solution suite, including TSQ Series mass spectrometers and FAIMS interface technology</li><li>Ensures high sensitivity, robustness, and reproducibility for regulated bioanalytical assays</li></ul>

Wiley LIPIDS Mass Spectral Database

The Lipids Mass Spectral Database includes 430 GC spectra from pure standards across 11 lipid classes. It supports peak assignment in complex mixtures and is valuable for research in food analysis, clinical, and medical applications.

<h4><strong>Validated Lipid Identification Made Simple</strong></h4><p>The <strong>Lipids Mass Spectral Database</strong> features <strong>430 GC-MS spectra</strong> of pure lipid standards across <strong>11 lipid classes</strong>, supporting accurate peak identification in complex mixtures. It's an essential tool in <strong>food, clinical, and medical research</strong>.</p><p>With over <strong>1,400 Linear Retention Index (LRI) values</strong> determined on three different GC columns and using multiple reference mixtures, the library ensures reliable retention data. Each entry includes detailed metadata such as <strong>CAS numbers, formulas, and suppliers</strong>.</p><p><strong>Highlights:</strong></p><ul><li>430 spectra, 428 unique compounds</li><li>11 lipid classes including FAMEs, sterols, and wax esters</li><li>Experimentally validated LRI on SLB-5ms, Equity-1, Supelcowax-10</li><li>Rich compound metadata for confident identification</li></ul><p>Explore compound classes at <a target="_blank" rel="noopener noreferrer" href="https://www.compoundsearch.com">www.compoundsearch.com</a></p>

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Size distribution and elemental analysis of fine particles from Li-ion battery cell fire

Coupling micro-flow liquid chromatography with Q-Orbitrap high-resolution mass spectrometry for greener, comprehensive pesticide residue analysis in fruits and vegetables

Automated Rapid Organic-Solvent-Free Metabolomics via Arrow–GC–MS: An Optimized Green Workflow for Human Plasma Profiling