<p><strong>Wiley, a global leader in authoritative content and research intelligence, today announced the launch of its spectral analysis application programming interface (API) portfolio, providing users with a new, faster way to access its trusted spectral data, analytical algorithms, and predictive models—within their own workflows.</strong></p><p>Wiley has one of the most comprehensive and trusted collections of scientific reference databases in the world, relied upon as a gold standard for identifying unknown chemical compounds by laboratories, instrument vendors, and software platforms across pharmaceuticals, forensics, environmental science, chemicals, food, materials, and other fields. The new portfolio extends the data and tools into modern, API-driven environments—allowing users to integrate high-quality spectral intelligence directly into their own systems and workflows.</p><p>As sample volumes grow and lab workflows become more automated and software-driven, identifying and verifying compounds quickly and reliably becomes even more critical. The <strong>new API portfolio</strong> meets that need directly, giving labs and platforms a faster way to complete the process, whether catching a quality issue on a production line or identifying an unknown compound in the field. The result is less manual effort, faster analysis, and more confidence in the answer.</p><p>The launch builds on Wiley's mission to transform knowledge into actionable intelligence for corporate and academic researchers around the world.</p><p>"<i>Speed matters when you're trying to identify an unknown substance; a delayed analysis can mean an assembly line sitting idle or a forensic lab holding up a case,</i>” said Armughan Rafat, Wiley senior vice president and chief AI and data services officer. “<i>We've spent decades building the reference data this industry trusts. Now, by making that spectral data and analytical intelligence available through APIs, we're setting the standard for how labs and vendors turn unknowns into answers faster and at scale.</i>"</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_API_spectral_search_5bfcb1dd9b.png" alt="Wiley: spectral analysis API" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Wiley_API_spectral_search_5bfcb1dd9b.png 128w," sizes="100vw" width="802" height="977"></p><h5><strong>The API portfolio launches with four core capabilities:</strong></h5><ul><li><strong>Spectral Database Search API </strong>– Query Wiley’s comprehensive reference collections for rapid compound identification.</li><li><strong>Spectrum-Structure Validation API</strong> – Confirm proposed chemical structures against experimental spectral data.</li><li><strong>Compound Classification API</strong> – Classify unknown substances, including drugs, based on compound class.</li><li><strong>Spectra Prediction API </strong>– Generate predicted spectra to support research, method development, and validation.</li></ul><p>Unlike fragmented in-house databases or instrument-specific solutions, these APIs offer a continuously curated, vendor-neutral foundation that supports multi-technique workflows, regulatory compliance, and cross-platform interoperability. As a result, laboratories can increase throughput, minimize downtime, and protect the value of the instrumentation and data in which they've already invested.</p><h4><strong>Spectral Databases &amp; APIs</strong></h4><p>Spectral databases contain unique molecular “fingerprints” of substances captured through analytical techniques such as <strong>infrared (IR), mass spectrometry (MS), nuclear magnetic resonance (NMR), and Raman spectroscopy</strong>. By comparing experimental spectra against validated reference data, researchers can accurately identify unknown compounds across a wide range of applications.</p><p>An API is a common way for computer systems, from lab instruments to software platforms, to request information from one another and get an answer back automatically.</p><blockquote><p><strong>For more information about the Wiley spectral analysis API portfolio, please</strong> <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/spectral-analysis-apis/"><strong>visit this website</strong></a></p></blockquote><h4><strong>About Wiley</strong></h4><p>Wiley is a global leader in authoritative content and research intelligence for the advancement of scientific discovery, innovation, and learning. With more than 200 years at the center of the scholarly ecosystem, Wiley combines trusted publishing heritage with AI-powered platforms to transform how knowledge is discovered, accessed, and applied. From individual researchers and students to Fortune 500 R&amp;D teams, Wiley enables the transformation of scientific breakthroughs into real-world impact. From knowledge to impact—Wiley is redefining what's possible in science and learning.&nbsp;</p>

Wiley Launches Its First Spectral Analysis API Portfolio

ISC 2026 - Day 5

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 14th September 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by <strong>Agilent Technologies, </strong>poster<strong> </strong>by <strong>Shimadzu / AOAC </strong>and brochure by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Analysis of Ethylene Glycol and Diethylene Glycol in Oral Syrup Containing Glycerin</strong></h3><p><strong>Using the Agilent 8890 GC system coupled with the Agilent 5977C GC/MSD</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_glycol_analysis_gc_ms_5994_9411en_agilent_e9dfb856ce.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This study demonstrates the use of an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 GC system</strong></a> coupled with the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=5977C"><strong>Agilent 5977C single quadrupole GC/MSD</strong></a> to detect and quantify ethylene glycol (EG) and diethylene glycol (DEG) in oral syrups containing glycerin per United States Food and Drug Administration (USFDA) recommendations.1 Samples were extracted using methanol, filtered through nylon filters, then followed by GC/MS analysis. Instrument Limit of Quantification (iLOQ) of 0.1&nbsp;ppm was achieved using internal standard calibration. A solvent-based calibration range was established from 0.1 to 4&nbsp;ppm.</p><h4><strong>Experimental</strong></h4><h5><strong>GC parameters</strong></h5><ul><li><strong>Inlet Temperature: </strong>240&nbsp;°C&nbsp;</li><li><strong>Analytical Column: </strong>DB-WAX GC column, 30&nbsp;m × 0.25&nbsp;mm, 0.50&nbsp;µm&nbsp;</li><li><strong>Injection Volume:</strong> 1&nbsp;µL&nbsp;</li><li><strong>Column Flow: </strong>Helium; 1.0&nbsp;mL/min, constant flow&nbsp;</li><li><strong>Injection Mode: </strong>Split (20:1)&nbsp;</li><li><strong>Oven Program:</strong> Start at 130&nbsp;°C (hold for 4&nbsp;min), ramp at 17&nbsp;°C/min to 195&nbsp;°C (hold for 4&nbsp;min), then at 35&nbsp;°C/min to 240&nbsp;°C (hold for 4&nbsp;min).&nbsp;</li><li><strong>MS Transfer Line Temperature: </strong>240&nbsp;°C&nbsp;</li></ul><h5><strong>MS Parameters&nbsp;</strong></h5><ul><li><strong>SIM Ions:</strong> 31, 33, 43, 75, 113&nbsp;</li><li><strong>Ion Source Temperature: </strong>230&nbsp;°C&nbsp;</li><li><strong>Quadrupole Temperature (Q1 and Q2):</strong> 150&nbsp;°C</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>A sensitive and robust method was optimized for analysis of EG and DEG in oral syrups containing glycerin. The method uses an internal standard calibration using 2,2,2-trichloroethanol. Instrument LOQ was established at 0.1&nbsp;ppm level for both EG and DEG. This method meets the requirements per US FDA recommendations for EG and DEG testing.1 Therefore, this study demonstrates the usefulness of the developed method for routine analysis of oral syrup samples for EG and DEG analysis using GC/MS.</p><h3><strong>2. Shimadzu / AOAC: Investigation of Varietal Classification Method for Coffee Beans Using Aroma Compounds</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/aoac_2026_17_e6687812af.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Common coffee bean species are broadly classified into two types: Coffea arabica (Arabica) and Coffea canephora (Robusta). Among them, Arabica is superior in flavor and is highly favored as a specialty beverage. However, in recent years, there have been multiple reports of products sold claiming to be 100% Arabica while being adulterated with Robusta1) . A reported method for discriminating between the two is the analysis of lipophilic extracts of coffee beans using a benchtop NMR spectrometer1) . This method uses 16- O-Methylcafestol, which is present in Robusta but almost undetectable in Arabica, as a marker. However, it requires complicated pretreatment such as extraction and concentration. Therefore, in this Application News, we investigated a method to discriminate between Arabica and Robusta more easily and rapidly using GC-MS/MS and the statistical analysis software eMSTAT Solution.</p><h4><strong>Methods</strong></h4><h5><strong>Analytical Methods&nbsp;</strong></h5><p>Volatile compounds were concentrated and introduced into the GC-MS using the HS-SPME method and then analyzed under the conditions registered in the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=Smart+Aroma+Database"><strong>GCMS(/MS) Smart Aroma Database</strong> </a>(Table 2). The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=GCMS-TQTM8040+NX"><strong>GCMS-TQTM8040 NX</strong></a> and the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=AOC-6000"><strong>AOC-6000 multifunctional autosampler</strong></a><strong> </strong>system were used as the analytical instruments (Fig. 1). To verify whether rapid analysis is possible, a temperature ramp of 10˚C/min was adopted, and a low-polarity column was used to obtain stable retention times for each compound. Data acquisition was performed in Scan mode or MRM mode, and each sample was analyzed three times.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li><strong>Clear Group Separation:</strong> Statistical analysis (PCA and cluster analysis) of data acquired in highly sensitive MRM mode clearly separated the two coffee bean types into distinct groups.&nbsp;</li><li><strong>Successful Discrimination:</strong> Our investigation suggested that the discrimination of Arabica and Robusta coffee beans based on aroma compounds is possible using the GCMS-TQ8040 NX, the Smart Aroma Database, and eMSTAT Solution.&nbsp;</li><li><strong>Intuitive and Comprehensive Workflow:</strong> Using eMSTAT Solution, statistical analysis and the creation of discrimination models can be easily performed without advanced expertise. Additionally, this method provides a comprehensive workflow that allows for the qualitative identification of key compounds contributing significantly to the discrimination</li></ul><h3><strong>3. Thermo Fisher Scientific: On-site gas analysis for ABO Thermo Scientific Antaris FTIR Aviator’s Breathing Oxygen (ABO) Gas Analysis System</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/on_site_gas_analysis_for_abo_br1828_en_4c3b71b244.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <strong>Thermo Scientific™ Antaris™ FTIR Aviator’s Breathing Oxygen (ABO) Gas Analysis System</strong> is a rugged, portable system that enables rapid validation of the compressed oxygen used by pilots and crew during flight operations. Use of sophisticated FTIR spectroscopic analysis enables detection of common contaminants that may be present due to the manufacturing process— contaminants such as methane, acetylene, and CFC/HCFC can be readily spotted and identified. The instrument’s sturdy design and FTIR spectroscopy’s ability to quantify multiple compounds in a single analysis make the Antaris ABO Analyzer a robust, readily deployable solution for validating the quality of aviator breathing oxygen.</p><h4><strong>Antaris FTIR Aviator’s Breathing Oxygen (ABO) Analyzer at a glance:</strong></h4><ul><li><strong>Components measured:</strong> Up to 25 components can be measured simultaneously, including freons, hydrocarbons, carbon monoxide, and carbon dioxide&nbsp;</li><li><strong>Sample type:</strong> Gas&nbsp;</li><li><strong>Dimensions:</strong> 51 in. (H) x 30.25 in. (W) x 41.5 in. (D)&nbsp;</li><li><strong>Weight:</strong> 240 kg&nbsp;</li><li><strong>Optional accessories:</strong> Purge gas generator, uninterruptible power supply, oxygen analyzer&nbsp;</li><li><strong>Voltage: </strong>120/240V</li></ul></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 38, 2026

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Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

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

International Symposium on Chromatography - (ISC)

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We develop digital education, learning, assessment, and certification solutions to help universities, businesses, and individuals move between education and employment and achieve their ambitions.

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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>

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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News from LabRulezGCMS Library - Week 38, 2026

ISC 2026 - Day 5

Wiley Launches Its First Spectral Analysis API Portfolio