<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 26th October 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><h3><strong>1. LECO: Characterization and Comparison of Lavandin Essential Oil Aroma Profiles by Using Fast </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1097"><strong>GC-TOFMS</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1873"><strong>ChromaTOFSync</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/PEGBTX_LAVANDIN_ESSENTIAL_OIL_SYNC_203_821_740_ocred_4f0b6542e3.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The qualitative characterization of essential oil volatiles is commonly performed using GC-MS; however, conventional methods often rely on long capillary columns, slow oven temperature ramps, and helium as the carrier gas. These factors typically result in analysis times exceeding one hour, higher operational costs, and limited sample throughput. Detailed aroma profiling, such as for lavandin essential oil, is nonetheless critical for understanding complex chemical composition, identifying key aroma-active compounds, and assessing compositional variability between samples.&nbsp;</p><p>Fast GC-TOFMS, using hydrogen (H<sub>2</sub>) as the carrier gas, offers an effective solution for the rapid analysis of complex essential oil matrices. Optimized temperature programming and high oven heating rates significantly reduces analysis time while maintaining chromatographic resolution. The Pegasus BTX GC-TOFMS system generates highly detailed datasets, which are efficiently processed using ChromaTOF Sync software for automated peak detection, chromatographic alignment, and non-targeted comparison across multiple samples. Here three lavandin oil varieties (Lavandin Oil Abrialis, Grosso, and Super) were analyzed and compared using this workflow to investigate compositional differences and identify discriminant compounds, with selected results highlighting some relevant findings.</p><h4><strong>Experimental&nbsp;</strong></h4><p>Three varieties of lavandin essential oil samples, namely Abrialis, Grosso, and Super, were analyzed using fast GC-TOFMS (<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1097"><strong>LECO Pegasus BTX</strong></a>) after appropriate dilution in n-hexane. &nbsp;<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/82"><strong>Auto Sampler - LECO L-PAL 3</strong></a>, Gas Chromatograph - <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890</strong></a><strong>.</strong></p><h4><strong>Conclusions&nbsp;</strong></h4><p>This application note demonstrates that fast GC-TOFMS using the Pegasus BTX system is a powerful and reliable solution for the rapid characterization of lavandin essential oils. The use of H, and fast temperature programming dramatically reduces run time while maintaining analytical performance.&nbsp;</p><p>The integration of ChromaTOF Sync is critical for handling complex datasets, enabling efficient peak alignment, non-targeted profiling, and robust comparison of multiple samples. Together, this workflow supports rapid aroma profiling, identification of key discriminant compounds, and confident differentiation of lavandin essential oil varieties.</p><h3><strong>2. Shimadzu: Characterization and Temporal Monitoring of Volatile Organic Compounds (VOCs) Released in Response to Plant Stress</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01240_en_d5914fb564.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>MonoTrap is well suited for field sampling because it is easy to transfer and store, enabling collection of plant-derived VOCs.&nbsp;</li><li>Plant-derived VOCs can be analyzed without the complicated pretreatment procedure such as solvent extraction.&nbsp;</li><li>This analysis system is ideal for measuring time-dependent changes in VOCs associated with plant stress responses</li></ul><p>Plants release volatile organic compounds (VOCs) in response to stressors such as changes in growing conditions and physical damage. These VOCs are known to have various physiological functions, including repelling herbivorous insects, enhancing resistance against pathogens, and facilitating plant-to-plant communication. For example, green leaf volatiles (GLVs) are a group of fatty acid-derived C6 VOCs released in response to stressors such as herbivore damage and pathogenic infection, and are reported to play an important role in plant defense response.<sup>1) </sup>However, VOCs sampling from living plants is labor-intensive because collection equipment must be carried in the field.&nbsp;</p><p>This Application News describes the collection of VOCs released from plant leaves in response to cutting and ultraviolet stress using MonoTrap, followed by analysis using a thermal desorption GC-MS system. VOC profiles generated under different stress conditions were compared, and time-dependent changesin VOCs emissions were evaluated.</p><h4><strong>Advantages of MonoTrap&nbsp;</strong></h4><p>MonoTrap is an adsorbent consisting of a monolith silica substrate and characterized by its ability to efficiently collect VOCs. Its large surface area enables the adsorption of a wide range of compounds from small molecules to medium- and high-boiling point components. MonoTrap is compatible with various desorption techniques, including solvent extraction and thermal desorption. Because it is small in size, and easy to handle, MonoTrap is ideal for sampling in the field, offering excellent ease of use, transport, and storage, making it well suited for field sampling of VOCs and environmental gases. In this study, a MonoTrap RGC18 TD (Cat.No.:1050-74201, GL Sciences) designed for thermal desorption-based analysis was used. After VOC collection, the MonoTrap was simply placed in a glass thermal desorption tube for analysis (Fig. 2). This approach simplifies the workflow from sampling to analysis, and helps reduce the variability between operators.</p><h4><strong>Analysis Conditions&nbsp;</strong></h4><p>The MonoTrap was placed in a glass tube for thermal desorption, which was set in a TD-30R thermal desorption system.&nbsp;</p><ul><li><strong>GC Model:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=2030"><strong>Nexis GC-2030&nbsp;</strong></a></li><li><strong>MS Model: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=QP2050"><strong>GCMS-QP2050</strong></a></li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>VOCs released from plant leaves in response to cutting and ultraviolet stress were collected using MonoTrap and analyzed by thermal desorption GC-MS system. The results showed that both the stress response compounds and the amounts of VOCs released varied depending on the stress conditions. GLVs such as 3-hexenal and 3-hexen-1-ol were detected under cutting stress. In addition, time-dependent changes in response compounds during UV irradiation were successfully monitored. MonoTrap for thermal desorption does not require complicated sample processing such as solvent extraction, and can be combined with a thermal desorption GC-MS system to streamline proceduresfrom sampling to qualitative analysis.</p><h3><strong>3. Waters Corporation: Analysis of Halogenated Flame Retardants Using Atmospheric Pressure Chemical Ionization GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009617_en_99b33dbd75.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>Benefits</strong></h5><ul><li>The ability of the atmospheric pressure gas chromatography APGC™ ionization source on the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/554"><strong>Xevo™ TQ Absolute System</strong></a> to tolerate high carrier gas flow and an increased number of MRM transitions helps the implementation of the N2 carrier gas method using the same analytical column, reducing the need for reanalysis of samples, and contributes to a more matrix-independent method</li><li>Operator training is reduced to weeks from months through conversion of the method from a magnetic sector to a tandem quadrupole mass spectrometer</li><li>Use of a single, inexpensive, readily available gas for chromatographic separation, ionization and MS/MS fragmentation provides an overall simpler, more sustainable analysis</li></ul><p>Despite both voluntary and regulatory bans on the continued use of many HFRs, there remains a need to monitor for their presence in environmental matrices because of their previous widespread use, persistence, environmental transport, and potential toxicity. For decades, analysts have relied on magnetic sector EI GCHRMS instruments for this work due to the sensitivity, specificity and dynamic range they provide. In recent years, however, these systems have increasingly been hindered by inherent limitations of the technology such as slow acquisition rates, operational complexity and a lack of adaptability to more sustainable methods. Tandem quadrupole MS/MS is well established in its ability to perform highly accurate, precise and reproducible quantification of analytes in complex matrices across a wide dynamic range. Commercial GC-APCI systems have demonstrated highly sensitive analysis of persistent organic pollutants (POPs) for over a decade.1,2 Combining these two techniques in a single system has demonstrated the ability to replace magnetic sectors in challenging analyses such as dioxin and polychlorinated biphenyl (PCB) monitoring.3-5 In this work, a list of 21 HFRs was analyzed on a Xevo TQ Absolute Mass Spectrometer using the APGC ionization source with nitrogen (N2) carrier gas. A discussion of adapting existing methods for the use of N2 carrier gas is included, as well as a database of MRM transitions that were developed.</p><h4><strong>Experimental</strong></h4><p>The instrumental method for this work has been described previously.6 As in that method, a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/554"><strong>Xevo TQ Absolute tandem quadrupole mass spectrometer</strong></a> coupled with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>8890 gas chromatograph (Agilent)</strong></a><strong> </strong>and fitted with the APGC ionization source was used for the measurements. The column was an Rtx®-1614, 15 m x 0.25 mm ID x 0.10 µm film (Restek) using an initial temperature of 110 °C then ramped to 210 °C at 10 °C/min, ramped to 260 °C at 20 °C/min held 1 minute, ramped to 310 °C at 10 °C/min, ramped to 330 °C at 40 °C/min with a final hold of 5 minutes for a total 24.5 minute runtime. One microliter pulsed splitless injections on the split/splitless (SSL) injector at 260 °C were used with a 0.5 minute pressure pulse to 20 psi. The use of a pressure pulse during injection is an important adaptation when converting He-based carrier gas methods to N2 carrier since the optimum linear velocity, and thus flowrate, for N2 is lower than He.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>An all-nitrogen configuration with APGC on a Xevo TQ Absolute System was successfully applied to the analysis of HFRs by adapting a He carrier gas reference method previously used on magnetic sector EI GC-HRMS systems. Total runtime and separation efficiency of the N2 carrier gas method was comparable to the He-based reference method without the need for column scaling. This was achieved through the use of carrier gas flow ramping using flow rates that cannot be accommodated by conventional vacuum-source EI GC/MS systems.&nbsp;</p><p>The move to tandem quadrupole MS from high resolution MS updates the method for improved performance measures such as higher acquisition speeds and high specificity MS/MS while also requiring reduced training time and expertise as compared with magnetic sectors. Future work will investigate the method in more detail and explore the possible combination of HFRs and PBDEs into a single analytical method.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 44, 2026

News from LabRulezLCMS Library - Week 44, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 26th October 2026? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY 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://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><h3><strong>1. Agilent Technologies: Ultratrace Analysis of Surface Impurities in Photovoltaic-Grade Polysilicon by ICP-MS</strong></h3><p><strong>Quantification of 58 elements per GB/T24582-2023 using an </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=8900"><strong>Agilent 8900 ICP-QQQ</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_photovoltaic_cells_polysilicon_8900_icp_qqq_5995_0020en_agilent_2125536f4e.pdf"><strong>Full PDF for download</strong></a><strong>&nbsp;</strong></li></ul><p>Green and sustainable energy reduces environmental harm, lowers carbon emissions, and supports long-term ecological balance.1 As energy demand rises and climate impacts intensify, transitioning from fossil fuels to renewable sources, such as solar, wind, hydro, geothermal, and biomass, has become essential for sustainability and energy security.2 Solar energy is widely used through technologies such as photovoltaic (PV) cells, which convert sunlight into electricity, and solar thermal systems, which produce heat. PV cells, which are typically made from crystalline silicon, are key to solar technology. The efficiency, cost, and durability of the cells largely depend on the materials used.3,4&nbsp;</p><p>PV architectures are fundamentally built upon high-purity silicon ingots— a monocrystalline or polycrystalline mass of semiconductor-grade silicon, typically formed via the Czochralski or directional solidification process.5 These ingots are sliced into thin wafers that serve as the substrate for solar cell fabrication. In this process, doped regions and junctions are engineered to facilitate charge carrier separation and enable the conversion of incident solar radiation into electrical energy via the PV effect.6 Figure 1 depicts the manufacturing process for a PV panel.</p><p>The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=8900"><strong>Agilent 8900 Triple Quadrupole ICP-MS (ICP-QQQ)</strong></a> is an advanced analytical platform engineered for ultratrace elemental analysis in high-purity materials such as polysilicon used in PV manufacturing. Its unique tandem mass spectrometry (MS/MS) configuration—comprising two quadrupoles (Q1 and Q2) separated by a collision/reaction cell—enables exceptional control over ion selection and reaction chemistry. Q1 acts as a mass filter to isolate target precursor ions, allowing only specific m/z values into the cell, while Q2 analyzes product ions formed after controlled reactions with gases such as O2, H2, or NH3. This design effectively eliminates complex spectral interferences, including polyatomic and isobaric overlaps that are particularly problematic in high-silicon matrices. As a result, the 8900 achieves sub-parts-per-trillion (ppt) detection limits for critical impurities like alkali and alkaline earth elements that are otherwise difficult to quantify accurately using conventional ICP-MS. Also, its high sensitivity, wide dynamic range, and robust plasma conditions ensure reliable quantification across varying concentration levels. These capabilities make the 8900 ICP-QQQ a useful instrument for QC and contamination monitoring in the semiconductor and solar industries, where even trace impurities can significantly impact PV cell efficiency and performance.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>An Agilent 8900 ICP‑QQQ, configured with an s‑lens ion optics system to enhance ion transmission efficiency and sensitivity, was used for the simultaneous quantification of 58 trace and ultratrace elements in two polycrystalline silicon ingot samples. Sample preparation was carried out by acid extraction in accordance with the GB/T 24582‑2023 standard.&nbsp;</p><p>Ultratrace detection at sub‑ppt levels was achieved using MS/MS (triple quadrupole) mode, utilizing multiple reaction gases to systematically mitigate spectral interferences via mass‑shift and on‑mass reaction pathways. This approach enabled selective removal of polyatomic interferences commonly associated with silicon matrices, thereby improving analyte selectivity and lowering background noise. The method exhibited strong analytical precision, with relative standard deviations (RSDs) below 10% across six replicate measurements, indicating consistent signal stability, efficient interference control, and robust instrumental performance.&nbsp;</p><p>The 0.1 µg/L spike‑recovery results within ± 20% confirmed the accuracy of the quantification. The internal standard recoveries verified stable instrument performance and effective correction for matrix‑induced signal variation, further supporting reliable multi‑element analysis of high‑purity silicon. This level of reliability is essential for maintaining accuracy at sub‑ppb levels in challenging silicon matrices.&nbsp;</p><p>The 8900 ICP-QQQ method is well aligned with the demands of advanced manufacturing environments. It is particularly suited to PV production, where precise and reproducible impurity monitoring is vital for ensuring material quality, optimizing process control, and preserving device performance.</p><h3><strong>2. LECO: Metallography of Aluminum and Aluminum Alloys</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/METALLOGRAPHY_ALUMINUM_ALUMINUM_ALLOY_203_821_722_c024278c37.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Aluminum has become a widely used material due to its natural corrosion resistance (oxide layer), manageable weight, high thermal conductivity, and cost-effective machinability. Pure Aluminum is too soft for structural use, so it is often alloyed with other metals such as Copper, Magnesium, Silicon, Zinc, and Manganese to increase its strength and durability for aerospace, automotive, and construction applications. Metallography is an important tool for verifying quality control properties in these materials, including grain size, intermetallic phases, precipitates, and porosity, all of which affect mechanical properties, corrosion resistance, and electrical conductivity. LECO offers complete metallographic solutions made to streamline and optimize every step of the sample preparation process from start to finish.</p><h4><strong>Sample Sectioning&nbsp;</strong></h4><p>With any metallographic sample, the most critical step of sample preparation is sectioning. The goal of sectioning is to remove a suitable-sized sample from a larger component with the least amount of deformation. If done incorrectly, thermal damage may occur to the sample's surface, requiring extra steps in the grinding/polishing phase. It could even affect the sample's microstructure, resulting in skewed image analysis results. In extreme cases, it may even require an operator to resection the sample, leading to additional costs and loss of valuable time. To increase efficiency, it is important to choose the correct blade and fixture for your sample.&nbsp;</p><p>LECO recommends the use of a Silicon Carbide blade (SiC) for sectioning Aluminum alloys, as they are designed for soft non-ferrous metals, allowing minimal deformation and efficient heat dissipation. The SiC abrasives prevent smearing and tearing, outperforming harder Iron-focused blades on Aluminum structure. LECO offers a variety of fixturing options to accommodate even the most difficult geometries for sectioning (Figures 4 and 5). Fixturing the sample properly is critical to stabilize the sample to prevent unnecessary vibrations and release of the sample during the cutting process.&nbsp;</p><p>If thermal degradation occurs after taking these necessary measures, it could be the sectioning method. Although chop cutting (Z-Axis) is the traditional form of operation with sectioning saws, it may be advantageous to try a pulse or planar cut that would provide more relief in the process. This could also be the case for an Aluminum part with complex geometry.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In summary, Aluminum and its alloys remain essential to modern engineering due to their lightweight nature, corrosion resistance, and adaptability. Ensuring these materials meet the demanding requirements of aerospace, automotive, and structural applications depends on precise metallographic evaluation. By characterizing grain structures, intermetallic phases, precipitates, and porosity, metallography provides critical insight into material performance, durability, and quality.&nbsp;</p><p>LECO supports this process with a full suite of metallographic solutions designed to enhance efficiency and consistency at every stage of preparation. From robust sectioning systems that ensure clean, controlled cuts, to reliable mounting equipment that protects and preserves sample integrity, LECO enables repeatable, high-quality preparation. Our advanced grinding and polishing platforms deliver uniform, scratch-free surfaces ready for evaluation, while our comprehensive image analysis software provides accurate, data-driven characterization of microstructural features. Together, these tools offer a streamlined, end-to-end workflow that empowers laboratories to maintain stringent quality control and achieve confident, repeatable results.</p><h3><strong>3. Shimadzu: Analysis of Trace and Major Elements in Steel by ICP-AES</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01072_en_736a917a5f.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User benefits</strong></h5><ul><li>The ICPE-9820 enables analysis across a wide concentration range, from trace to major elements in steel.&nbsp;</li><li>Using a torch for high-salt samples and a water bubbler can suppress salt deposition when analyzing high-salt samples.&nbsp;</li><li>The use of a vacuum spectrometer enables rapid startup and quick analysis in the vacuum ultraviolet region (wavelengths below 190 nm).</li></ul><p>Steel materials are widely used in a diverse range of industries, including construction, transportation, and machinery manufacturing, and are indispensable in modern society. Steel contains various elements, and the types and concentrations of these elements significantly influence its properties. Accordingly, elemental analysis is essential for quality assurance and performance control.&nbsp;</p><p>The elements in steel range from trace constituents to major components, with concentrations spanning a broad range from mg/L levels to percentage levels. Inductively coupled plasma atomic emission spectrometry (ICP-AES) is well suited to the analysis of elements across such a wide concentration range. It enables highly accurate quantitative analysis from trace elementsto major components.&nbsp;</p><p>This Application News presents an analysis example of a stainless-steel certified reference material using the Shimadzu ICPE-9820 multi-type ICP atomic emission spectrometer.</p><h4><strong>Analysis Conditions&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=1&amp;search=ICPE-9820"><strong>ICPE-9820</strong></a><strong> </strong>enables simultaneous analysis using two view orientations: axial view (AX), which offers higher sensitivity, and radial view (RD), which is suitable for high-concentration analysis.&nbsp;</p><p>For major element analysis, quantification was performed using the calibration curve method with the internal standard method. For trace element analysis, quantification was performed using the standard addition method.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In this Application News, trace and major elements in a stainless-steel certified reference material were analyzed using the ICPE-9820. The measured values showed good agreement with the certified values.&nbsp;</p><p>The sample introduction system, consisting of a torch for highconcentration salt solution samples and a water bubbler, effectively prevented sensitivity loss from salt deposition. At the same time, the use of a Twister spray chamber enabled finer particle-size selection, thereby improving analytical accuracy for high-salt samples.&nbsp;</p><p>In addition, the ICPE-9820 employs a vacuum spectrometer, enabling rapid startup and fast analysis in the vacuum ultraviolet region (wavelengths below 190 nm).</p><h3><strong>4. Thermo Fisher Scientific: Rapid, accurate field analysis of phosphate ores with handheld XRF</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/field_analysis_of_phosphate_ores_an1912_en_b0cb5ab9ec.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>The need for rapid phosphate ore analysis&nbsp;</strong></h5><p>Phosphate rock (phosphorite) is the primary source of phosphorus used in fertilizers, making it indispensable to global food production. As high-grade phosphorite deposits become increasingly depleted, mining operations must process lower-grade and more compositionally variable phosphate ores. This trend places greater emphasis on rapid, accurate elemental analysis to support exploration, grade control, process optimization, and compliance with environmental regulations. Handheld X-ray fluorescence (HHXRF) has become a key analytical tool for these applications by providing fast, non-destructive, multi-element analysis directly in the field or at the production site.</p><h5><strong>Handheld XRF for rapid phosphate ore analysis&nbsp;</strong></h5><p>Handheld X-ray fluorescence (HHXRF) analyzers have emerged as valuable tools for on-site elemental analysis of the major and penalty elements in phosphate ores. The analyzers’ portability, ease of use, and ability to deliver analytical results within seconds make them ideal for rapid decision-making in mining exploration as well as mining operations for guiding extraction, stockpile management, quality control and environmental monitoring. While handheld XRF does not replace laboratorygrade analysis for certification purposes, it provides immediate compositional information that can significantly improve operational efficiency.&nbsp;</p><p>The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1992"><strong>Thermo Scientific™ Niton™ XL5 Plus Handheld XRF Analyzer </strong></a>(Figure 1a) combines a compact, lightweight design with advanced analytical performance for field-based elemental analysis. Featuring a 5 W / 50 kV / 500 µA max. proprietary X-ray tube and a large-area silicon drift detector (SDD) with a graphene window, the Niton XL5 Plus analyzer delivers accurate elemental analysis across all stages of mining and exploration. The Mining Mode on the XL5 Plus analyzer can measure 41 elements, from magnesium (Mg) to uranium (U), using four optimized excitation conditions to enhance the signal-to-noise ratios of fluorescence lines across the full energy spectrum. Mining Mode uses a proprietary fundamental parameter (FP) based algorithm that accounts for the high variability of sample composition by correcting for matrix absorption and secondary enhancement effects; this improves analytical accuracy across a wide range of sample compositions. Users can optimize settings of Mining Mode and store that group of preferred settings under Profiles. Profiles enable users to have multiple analytical methods on the same instrument; the most appropriate profile for a given task can be easily selected to perform desired measurements quickly.</p><h4><strong>Key findings&nbsp;</strong></h4><p>The Niton XL5 Plus handheld XRF analyzer provides rapid, accurate, multi-element analysis of phosphate ores, enabling informed decision-making throughout exploration, mining, and fertilizer production. Combined with appropriate sample preparation, the analyzer delivers excellent agreement with certified laboratory values for both major constituents and critical penalty elements such as uranium and cadmium. By providing immediate analytical results at the point of need, the Niton XL5 Plus analyzer helps improve ore characterization, optimize process control, and reduce reliance on timeconsuming laboratory analyses.</p>

News from LabRulezICPMS Library - Week 44, 2026

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Thermo Scientific mzCloud Mass Spectral Library

mzCloud is a high-resolution, accurate-mass MSⁿ spectral library that helps identify unknown compounds when no reference standards are available, especially in complex studies.

<div colctrl-id="1-1"><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>Confident identification for unknown small molecules</strong></h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div><p><strong>Mass spectral libraries and databases may be required to identify unknown compounds when reference standards are not available. This is particularly true for studies in areas such as metabolomics, forensic toxicology, food &amp; beverage, environmental emerging contaminants or extractables &amp; leachables.</strong></p></div></div></div></div><div><p>In these situations, a mass spectral library, particularly a high-resolution and accurate-mass MS<sup>n</sup> fragmentation library, such as the mzCloud mass spectral library, can provide the information required to confidently identify unknown compounds.</p><h3><strong>Key benefits</strong></h3><h5><strong>Confidence for unknown identification</strong></h5><p>Comprehensive curation of all library content with extensive, fully annotated and searchable fragmentation spectra to provide confidence in your results.</p><h5><strong>Know more unknowns&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p>Identify unknowns with automated deconvolution and library searching against extensive fragmentation spectra covering a wide chemical space, including small molecule applications.</p><h5><strong>From spectra to structure&nbsp;&nbsp;</strong></h5><p>With solutions to cover infusion or LC-MS, nominal or high-resolution data, you can be sure that your MS<sup>n</sup> spectra will provide you with actionable results, even when there is no spectral library match.</p><h5><strong>Flexibility for research and routine applications</strong></h5><p>Search for free online at <a target="_blank" rel="noopener noreferrer" href="http://www.mzcloud.org/" aria-label="mzCloud.org - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="http://www.mzcloud.org/$mzcloud.org"><span style="white-space:nowrap;">mzCloud.org</span></a>, or directly access through the Thermo Scientific Compound Discoverer and Mass Frontier software packages. Not online? mzVault provides you with the ability to perform offline spectral library searching.</p><figure class="image"><img style="aspect-ratio:1398/1002;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_ecc79fe9bf.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: mzCloud is easily and freely accessed online. Anyone can search, review, and use its extensive information. Note that the numbers above were correct at time of publication. For the most up to date numbers visit mzCloud.org." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_ecc79fe9bf.jpg 218w," sizes="100vw" width="1398" height="1002"></figure><h3><strong>What is in the mzCloud mass spectral library?</strong></h3><div style="height:auto;" id="whatismzcloud"><div><div><div><div><p>mzCloud is an extensively curated, high-quality mass spectral fragmentation library that contains significant amounts of spectra and metadata for each entry. Each entry also includes exhaustive high-resolution <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/mass-spectral-libraries/mzcloud-mass-spectral-library.html?open=multi-stage-fragmentation#multi-stage-fragmentation">MS/MS and multi-stage MS<sup>n</sup> spectra</a>, which have been acquired at various collision energies and using different fragmentation techniques.</p><p><strong>Each raw mass spectrum</strong> has been filtered to remove noise, recalibrated to ensure absolute mass accuracy, fully annotated and <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/mass-spectral-libraries/mzcloud-mass-spectral-library.html?open=content-curation#content-curation">curated</a> to ensure quality and consistency.</p><p>Finally, the contents of the library are <strong>updated weekly</strong> to provide coverage of a wide chemical space, ensuring relevance to all small-molecule application areas.</p></div><div><figure class="image"><img style="aspect-ratio:740/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_2_77a6795676.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Example of the Mass Frontier software utilizing the contents of mzCloud to identify an unknown compound through a sub-structural search; the experimental fragmentation spectrum (top left) is searched against the mzCloud mass spectral database, with corresponding spectral hits shown in a given spectral tree (top, middle), with supporting spectral information (bottom left) and the identified precursor structure from the matched fragmentation spectra (bottom right), and the library compound structure from which the fragment originated (top right)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_2_77a6795676.jpg 245w," sizes="100vw" width="740" height="410"></figure></div><div><p>Distinguishing among types of databases is important, as the contents and quality of the contents typically differs significantly and may have an impact upon the reliability of the data and the confidence in any results obtained.</p><ul><li><strong>Chemical database</strong>: A collection of chemical information with, at minimum, a name and a formula. It may also include structures, elemental composition, retention time information, and additional biological or chemical metadata.</li><li><strong>Accurate-mass (AM) database</strong>: An AM database contains accurate mass formulas.</li><li><strong>Accurate-mass retention-time (AMRT) database</strong>: An AMRT database contains accurate mass and retention time(s) for specific analytical methods.</li><li><strong>Library</strong>: A library is a database (AM or AMRT) that, in addition to the above, also contains reference mass spectral data, MS/MS, and/or MS<sup>n</sup> data on compounds.</li></ul><h3><strong>Multi-stage fragmentation in the mzCloud mass spectral library</strong></h3><div style="height:auto;" id="multistagefragmentation"><div><div><div><div><figure class="image"><img style="aspect-ratio:740/420;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_3_792a9d9a59.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: A schematic representation of a spectral tree within mzCloud. The MS spectra are acquired for a given compound in multiple polarities (ESI +/-), and for a range of adducts. Each precursor is exhaustively fragmented using different fragmentation techniques (CID, HCD) and at multiple collision energies to produce collections of fragmentation spectra at each fragmentation level (MS2, MS3, MS4 etc.), generating a comprehensive spectral tree of information for each library entry." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_3_792a9d9a59.jpg 245w," sizes="100vw" width="740" height="420"></figure><p>mzCloud is an<strong> all-encompassing mass spectral library </strong>with content based on a wide chemical space (therefore covering all small-molecule application areas), and acquiring high-resolution and accurate-mass data at various collision energies, for multiple adducts, using CID and HCD. Approximately 10–20 collision energies are included for every precursor ion; this multi-stage, multidimensional MS<sup>n</sup> spectral data are arranged into spectral trees, which are both extensive and comprehensive, typically containing many hundreds to thousands of spectra for each compound, with many exceeding MS<sup>4</sup> fragmentation steps.</p><p>The extensive data for each library entry is critical for accurate compound identifications, matching experimentally obtained data to that of the library contents, with fit confidence and data visualization <strong>provided in the</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong> Compound Discoverer</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier</strong></a><strong> data analysis software.</strong> Additional tools in Compound Discoverer and Mass Frontier software, including <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"><strong>mzLogic</strong></a>, use the extensive fragmentation information to confidently identify unknowns that cannot be identified based upon the spectral library compound entries alone.</p><h3><strong>Content curation in the mzCloud mass spectral library</strong></h3><div style="height:auto;" id="contentcuration"><div><div><div><div><figure class="image"><img style="aspect-ratio:740/342;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_4_c7064c2ca2.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: An example of the mass spectral content curation tool available within the Mass Frontier software. It contains all the functionality used to manually curate the content contained within mzCloud. The power of mzCloud lies in both the extent and high quality of its content, which helps make confident compound identifications." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_4_c7064c2ca2.jpg 245w," sizes="100vw" width="740" height="342"></figure><p>Despite the fact that <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap"><strong>Thermo Scientific Orbitrap-based mass analyzers</strong></a> routinely deliver sub 3-ppm mass errors, there is a small amount of inaccuracy in any experimental data used to search against a library; these errors would be compounded if the library itself also contained data with mass errors. The compounded errors would mean that any identifications could be harder to make or have lower confidence due to match scores being higher.</p><p>Curating the content within mzCloud guards against error and variability in the reference spectra against which data is compared. <strong>The process of curation involves:</strong></p><ul><li>Averaging multiple, individually acquired spectra</li><li>The removal of mass spectral noise</li><li>Recalibration of the mass spectra based upon the predicted formulas for the fragment ion elemental compositions, based upon the known elemental composition and structure of the precursor ion</li><li>Annotation of all fragment ions with the fragment structure</li><li>Addition of large amounts of metadata, including the source of the data and all original raw data files</li></ul><p>This curation process is performed <strong>for every spectra</strong> - every collision energy, every fragmentation type, every MS<sup>n</sup> level and for each precursor ion. As such, the spectral data in mzCloud is of <strong>exceedingly high quality </strong>and offers significant advantages over crowd-sourced libraries due to the high levels of control.</p><figure class="image"><img style="aspect-ratio:740/350;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_5_0c3fdc4c6c.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: A recalibrated fragmentation spectrum showing no error on the highlighted peak at m/z 213.05462, along with all of the annotation that is provided for each spectra, at each collision energy, for each fragmentation type at each MSn level." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_5_0c3fdc4c6c.jpg 245w," sizes="100vw" width="740" height="350"></figure><div><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>How can I use the mzCloud mass spectral library?</strong></h3><p>Accelerate your small molecule unknown identification studies with <strong>mzCloud</strong>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"><strong>mzLogic</strong></a>, and the other data analysis and mass spectral prediction tools available in<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer</strong></a> software and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier</strong></a><strong> </strong>software.</p><p><img style="aspect-ratio:860/261;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_7_a8cefb0028.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Connectivity of mzCloud and mzVault to Mass Frontier." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_7_a8cefb0028.jpg 245w," sizes="100vw" width="860" height="261"></p><p>The content within mzCloud is accessible through Compound Discoverer and Mass Frontier software packages, provided you have an internet connection. No internet? No problem – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1760"><strong>mzVault</strong></a>, provides you with the MS and MS/MS content of mzCloud in an offline format.</p><div style="height:auto;" id="accessmzcloud"><div><div><div><div colctrl-id="3-1"><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><p><img style="aspect-ratio:860/242;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_6_ae3c0a28e1.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Connectivity of mzCloud and mzVault to Compound Discoverer." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_6_ae3c0a28e1.jpg 245w," sizes="100vw" width="860" height="242"></p><p>Due to security concerns or local firewalls, not everyone can connect processing PCs to the internet. With that in mind, the contents of mzCloud are combined into an offline version twice a year. The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1760"><strong>mzVault</strong></a><strong> </strong>software application helps you access this information. In addition to accessing the offline version of mzCloud, the mzVault application can store and search your high-quality custom in-house (offline) MS/MS spectral libraries.</p></div></div></div></div></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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