<p><strong>There are various Natural Gas Analysers (NGAs) available to cater to different sample types and throughput requirements, whether in a lab, at-line, or in the field. NGAs are pre-configured 'turnkey' systems designed to comply with standard methods for determining the heating value of natural gases and related streams.&nbsp;</strong></p><p>They can be customized to analyse additional components, such as sulphur compounds, ensuring suitability for downstream processes. These analysers utilize a proven <strong>multi-channel/multi-dimensional approach</strong> to determine the <strong>heating/calorific value</strong> of natural gas and quantify individual components.</p><figure class="image"><img style="aspect-ratio:456/367;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chromsolutions_NGA_Basic_System_C_c0d00676bd.jpg" alt="ChromSolutions: NGA Basic (System C)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chromsolutions_NGA_Basic_System_C_c0d00676bd.jpg 194w," sizes="100vw" width="456" height="367"></figure><p>NGA (System C) - Extended Analysis is a specialized system designed for <strong>analysing "rich" natural gas or natural gas liquid streams</strong>. It offers the capability to<strong> separate and quantify hydrocarbon components up to C<sub>16</sub>.</strong> Similar to System B, it can also measure <strong>oxygen</strong> and <strong>nitrogen</strong>, while detecting <strong>hydrogen sulphide at a sensitivity of approximately 100 ppm</strong>. The system is equipped with a <strong>14-port valve</strong> and a <strong>6-port valve</strong>. <strong>The 14-port valve allows simultaneous introduction of the sample stream to three independent columns</strong>, enabling automated detector switching for high sensitivity detection of all components of interest.</p><figure class="image"><img style="aspect-ratio:377/283;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chromsolutions_Natural_Gas_Sample_System_C_1_Propane_2_i_Butane_3_n_Butane_4_Neo_Pentane_5_Iso_Pentane_cefe75d793.jpg" alt="ChromSolutions: Natural Gas Sample - System C - 1. Propane, 2. i-Butane, 3. n-Butane, 4. Neo-Pentane, 5. Iso-Pentane, 6. n-Pentane, 7. Cyclopentane, 8. n-Hexane, 9. Methylcyclo-pentane, 10. Benzene, 11. Cyclohexane, 12. I2,2,4– Trimethylbenzene, 13. n-Heptane, 14. Toluene, 15. n-Octane, 16. Ethylbenzene, 17. M- +p-Xylene, 18. O-Xylene, 19. n-Nonane, 20. 1,2,4-Trimethylbenzene, 21. n-Decane" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chromsolutions_Natural_Gas_Sample_System_C_1_Propane_2_i_Butane_3_n_Butane_4_Neo_Pentane_5_Iso_Pentane_cefe75d793.jpg 208w," sizes="100vw" width="377" height="283"></figure><h5><strong>Analyser - Description / Published Method(s)</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/NGAA_66dab6b6f7.pdf">Natural Gas A</a> - Single Channel Natural Gas Analyser / <strong>ASTM D1945, GPA2261</strong></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/NGA_B_QRG_1_a6d11b801e.pdf">Natural Gas B</a> - Dual Channel Natural Gas Analyser / <strong>ASTM D1945, GPA2261</strong></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/NGA_C_QRG_e66a58a952.pdf">Natural Gas C</a> - Extended Natural Gas Analyser / <strong>GPA 2286 (He/H<sub>2</sub> included)</strong></li><li>Natural Gas D - Three Bespoke Extended Natural Gas Analyser / <strong>ASTM D1945, GPA2261, GPA 2286 (He/H<sub>2</sub> included)</strong></li></ul><h3><strong>Conclusions</strong></h3><h5><strong>Natural Gas Analyser (System C)</strong></h5><ul><li>Fully <strong>automated analysis process</strong>.</li><li><strong>No expensive method development required.</strong></li><li>Capable of <strong>detecting a full range of components</strong>.</li><li>All channel results <strong>consolidated into a single report</strong>.</li><li>Simple setup for <strong>easy operation, maintenance, and service.</strong></li></ul><blockquote><h4><strong>ChromSolutions Ltd</strong></h4><p><strong>Over 110 years of expertise in analytical instrumentation. Independent advice for analyser selection. Clear recommendations and comprehensive training. ChromSolutions offers reliable guidance and support for your analyser purchase, installation and operational journey.</strong></p></blockquote>

Natural Gas Analyser C - Quick Reference Guide

<p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1007"><strong>NGA Extension</strong></a><strong> is a software module for natural gas and liquefied petroleum gas data processing. You no longer need an external tool for gas properties calculations since Clarity contains the complete workflow of data acquisition, peak calibration, reporting, and gas properties calculations based on supported norms. It is possible to perform summary calculations of gas properties from multiple signals and chromatograms.</strong></p><ul><li>Calculates gas properties in compliance with internationally recognized standards <strong>ISO 6976-95, ASTM D 3588-98, GPA 2172-09 for Natural Gas or ASTM D 2421-02, ASTM D 2598-02, ISO 8973-97 / EN589-04</strong> for Liquefied Petroleum Gas.</li><li>The gas properties can be calculated across multiple signals and even across multiple chromatograms.</li><li>It is possible to include additional norms based on customers feedback.</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=58&amp;search=NGA"><strong>NGA Extension</strong></a> is an optional addition to <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999"><strong>Clarity software</strong></a>, it cannot be used as a standalone program.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_NGA_Extension_a32a83147a.jpg" alt="DataApex -Clarity NGA Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Clarity_NGA_Extension_a32a83147a.jpg 245w," sizes="100vw" width="1212" height="767"></p><h4><strong>Features - calculated properties according to norms</strong></h4><h5><strong>ISO 6976-95</strong></h5><ul><li>Compression Factor (for real gas only)</li><li>Mean Molecular Weight</li><li>Relative Density</li><li>Density</li><li>Superior Calorific Value</li><li>Inferior Calorific Value</li><li>Wobbe Index</li></ul><p><strong>ISO 6976-16 / ISO 6976-95 Natural gas: </strong>Calculation of calorific values, density, relative density, and Wobbe index from composition.</p><h5><strong>ISO 8973-97 / EN589-04</strong></h5><ul><li>Absolute Vapour Pressure (for Molar and Mass Percent only)</li><li>Gauge Vapour Pressure (for Molar and Mass Percent only)</li><li>Octane Number</li></ul><p><strong>ISO 8973-97 / EN 589+A1:</strong> Standards for calculation methods for density and vapor pressure in liquefied petroleum gases.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_software_NGA_Natural_Gas_Analysis_Extension_2_5effa3549d.jpg" alt="DataApex: Clarity software - NGA (Natural Gas Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Clarity_software_NGA_Natural_Gas_Analysis_Extension_2_5effa3549d.jpg 195w," sizes="100vw" width="1005" height="806"></p><h5><strong>ASTM D 3588-98 and GPA 2172-09</strong></h5><ul><li>Molar Mass</li><li>Molar Mass Ratio</li><li>Compressibility Factor</li><li>Relative Density</li><li>Ideal Heating Value (also in BTU - British Thermal Units)</li><li>Real Heating Value (also in BTU - British Thermal Units)</li></ul><p><strong>ASTM D 3588-98: </strong>The standard practice for calculating heating values, compressibility factor, and relative density of gaseous fuels.</p><p><strong>GPA 2172-09: </strong>Calculation of gross/net heating values, relative density, and compressibility factor for natural gas mixtures from compositional analysis.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_software_NGA_Natural_Gas_Analysis_Extension_93e81ffce8.jpg" alt="DataApex: Clarity software - NGA (Natural Gas Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Clarity_software_NGA_Natural_Gas_Analysis_Extension_93e81ffce8.jpg 176w," sizes="100vw" width="1023" height="905"></p><h5><strong>ASTM ASTM D 2421-02 and D 2598-02</strong></h5><ul><li>Vapor Pressure</li><li>Relative Density</li><li>Motor Octane Number</li></ul><p><strong>ASTM D 2421-02:</strong> The standard practice for interconversion of analysis of C5 and lighter hydrocarbons to gas-volume, liquid-volume, or weight basis.</p><p><strong>ASTM D 2598-02: </strong>The standard practice for calculation of certain physical properties of liquefied petroleum (LP) gases from compositional analysis.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_software_NGA_Natural_Gas_Analysis_Extension_3_6e44e2d279.jpg" alt="DataApex: Clarity software - NGA (Natural Gas Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Clarity_software_NGA_Natural_Gas_Analysis_Extension_3_6e44e2d279.jpg 176w," sizes="100vw" width="853" height="757"></p><h4><strong>Specification</strong></h4><ul><li><strong>Part No.</strong>: A32</li><li><strong>Related products:</strong> Clarity (p/n C50)<ul><li>Clarity Offline (p/n C59) GC and AS Control module (p/n A23 and A26)</li></ul></li></ul>

Clarity software - NGA (Natural Gas Analysis) Extension

<p data-start="495" data-end="845"><strong>This study investigates the thermal stability of polar compounds in crude oils using ultra-high-resolution FT–MS with electrospray ionization (ESI). By monitoring the MS profiles of 14 key compounds subjected to micropyrolysis at temperatures up to 500 °C, we aim to better understand their thermal behavior.</strong></p><p data-start="847" data-end="1165" data-is-last-node="">A new "MS ratio" is introduced, based on ion abundance changes during thermal modification, and is compared to established GC–MS diagnostic ratios. The results demonstrate a correlation between the proposed MS ratio and classical thermal evolution indicators, providing a new approach for assessing crude oil maturity.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.energyfuels.4c03496"><strong>Exploratory Analysis of Crude Oil Thermal Evolution by Ultra-High-Resolution Mass Spectrometry</strong></a></h4><p>Arquimedes M. S. Coutinho, Marília Gabriela A. Pereira, Pedro G. C. Lucena, Jhonnatas de C. Carregosa, Wenes R. da Silva, Danielle M. M. Franco, Gesiane da S. Lima, Boniek G. Vaz, Alberto Wisniewski and Jandyson M. Santos</p><p>Energy Fuels 2024, 38, 22, 21932–21940</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.energyfuels.4c03496">https://doi.org/10.1021/acs.energyfuels.4c03496</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p>The chemical characterization of oils can be performed on the basis of the identification of biomarkers, which are compounds that allow inferences to be made concerning the geochemical features of oils, such as the type of original organic matter, the degree of thermal evolution, and the environmental origin. <a href="javascript:void(0);" aria-label="reference 3">(3)</a> Gas chromatography coupled with mass spectrometry (GC–MS) is the most common analytical technique used to identify biomarkers, enabling the calculation of diagnostic ratios to infer the degree of thermal evolution of the oil. <a href="javascript:void(0);" aria-label="reference 2 and 3">(2,3)</a> Additionally, the use of gas chromatography with flame ionization detection (GC–FID) is notable for its versatility and excellent response to hydrocarbons. Another valuable technique is comprehensive two-dimensional gas chromatography (GC × GC), which serves as an important tool for addressing coelution problems, a phenomenon commonly observed in the chromatographic analysis of oils. <a href="javascript:void(0);" aria-label="reference 4 and 5">(4,5)</a> The thermal evolution of an oil is a geochemical parameter that is related to its thermodynamic stability and depends upon the thermal stages in which it was formed as well as the temperature levels of its formation process. <a href="javascript:void(0);" aria-label="reference 2">(2)</a> The biomarker ratios most commonly used to evaluate thermal evolution are Ts/Tm, Ts/(Ts + Tm), and C<sub>32</sub><i>S</i>/(<i>S</i> + <i>R</i>). <a href="javascript:void(0);" aria-label="reference 2 and 6 to 8">(2,6−8)</a> The compound 18α-22,28,30-trisnorneohopane (Ts) is more stable than 17α-22,29,30-trisnorhopane (Tm) at high temperatures; therefore, the Ts/Tm and Ts/(Ts + Tm) ratios increase with increasing degree of thermal evolution. <a href="javascript:void(0);" aria-label="reference 2 and 9">(2,9)</a> The same behavior occurs for the C<sub>32</sub><i>S</i>/(<i>S</i> + <i>R</i>) ratio based on the ratio between the 17α(<i>H</i>),21β(<i>H</i>)-homohopane C<sub>32</sub>H<sub>56</sub> isomers, involving conversion of the 22<i>R</i> isomer in the mixture of <i>R</i> and <i>S</i> isomers. <a href="javascript:void(0);" aria-label="reference 2 and 7">(2,7)</a></p><p>The thermal behavior of oils can be evaluated by pyrolysis, where thermal decomposition reactions of the material occur in an inert environment, with the resulting compounds being characterized and related to the original molecule. <a href="javascript:void(0);" aria-label="reference 10">(10)</a></p><p>Gas chromatography–mass spectrometry (GC–MS) is widely recognized as a fundamental technique for the analysis of hydrocarbon biomarkers of petroleum. Its significance is particularly evident in the separation of isomeric biomarkers, such as the previously mentioned Ts and Tm, allowing the determination of diagnostic ratios with high potential for inferring petroleum geochemical information. <a href="javascript:void(0);" aria-label="reference 11 and 12">(11,12)</a> Alternatively, ultra-high-resolution Fourier transform mass spectrometry (FT–MS) allows analysis to be performed by direct infusion of a simple oil solution into an electrospray ionization (ESI) source coupled to a mass analyzer, such as ion cyclotron resonance (ICR MS) or Orbitrap (Orbitrap MS) devices, enabling the detection and identification of thousands of components, in a single analysis and within only a few minutes. <a href="javascript:void(0);" aria-label="reference 3, 10 and 13 to 15">(3,10,13−15)</a></p><p>The main aim of this study was to evaluate the presence of typical compounds of the polar fraction of crude oils and to correlate them with data from micropyrolysis (Py) experiments, enabling the identification of potential biomarkers for use in geochemical thermal evolution diagnostics. The alternative analytical tool developed here is simpler and faster when compared to the classical biomarker ratios determined using GC–MS.</p><h3><strong>Experimental</strong></h3><h4><strong>Analytical Micropyrolysis (Py)</strong></h4><p>The 14 standard compounds described in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.energyfuels.4c03496/suppl_file/ef4c03496_si_001.pdf">Figure S1</a> of the Supporting Information were submitted to Py, according to the methodology of Maciel et al. <a href="javascript:void(0);" aria-label="reference 16">(16)</a> A 10 mg portion of each compound was inserted into a reactor tube with glass wool as an adsorbent material. The reactor tube was purged for 30 s with a 2 mL min<sup>–1</sup> flow of N<sub>2</sub>, followed by heating to 500 °C in a Ni–Cr wire oven, resulting in a total reaction time of 3 min. The solvent used for final elution of the reactor tube contents was a methanol/toluene (1:1, v/v) mixture with a final volume of 1 mL. The solution obtained was analyzed by ESI(±) FT–MS.</p><h4><strong>Ultra-High-Resolution Fourier Transform Mass Spectrometry (FT–MS)</strong></h4><p>The FT–MS analyses were performed using an Orbitrap mass spectrometer (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Exactive+Plus"><strong>Exactive Plus, Thermo Scientific, U.S.A</strong></a>.). The standard compounds, their Py products, and the crude oils were prepared by dissolution to a final concentration of 1 mg mL<sup>–1</sup> in a mixture of toluene/methanol (1:1, v/v). Formic acid was added in a proportion of 0.1% and ammonium hydroxide in a proportion of 0.4% as ionization promoters for ESI(+) and ESI(−) analyses, respectively. The samples were introduced by a direct infusion. The operating conditions were a flow rate of 5 μL min<sup>–1</sup>, capillary voltage at –3.2 kV in ESI(−) mode and +4.0 kV in ESI(+) mode, capillary temperature of 280 °C, and N<sub>2</sub> as sheath, auxiliary, and spare gases at 5, 5, and 2 (arbitrary units), respectively.</p><p>The acquisition and interpretation of mass spectra were performed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Xcalibur+2.0"><strong>Xcalibur 2.0 software</strong></a> (Thermo Scientific, U.S.A.), in the <i>m</i>/<i>z</i> range of 100–1000, which in a total of 100 μscans were accumulated to obtain the final average mass spectrum. The software determined the exact mass, inferring molecular formulas, indicating the assignment error for each molecular formula, providing double bond equivalent (DBE) values, and the total abundance of ions that were used in the MS ratio proposed. Confirmation of peak attribution considered agreement between the experimental and theoretical <i>m</i>/<i>z</i> values together with the isotopic pattern.</p><p>Sequential mass spectrometry analyses (MS/MS) were performed by FT-ICR MS (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=10&amp;search=solariX+9.4+T"><strong>solariX 9.4 T</strong></a>, Bruker Daltonics, Germany), using ESI(−) ionization mode and a collision energy of 25 eV, for specific ions from the Py product of the 2,6-dimethyl-4-pyridinol standard compound. The ESI conditions of the FT ICR–MS/MS analysis were analogous to those described above for the Orbitrap FT–MS analyses.</p><h4><strong>Analysis by GC-MS</strong></h4><p>Crude oil samples (5 g) were fractionated into saturate, aromatic, resin, and asphaltene (SARA) compounds, according to the conditions of Santos et al. <a href="javascript:void(0);" aria-label="reference 17">(17)</a> Briefly, <i>n</i>-heptane (in the proportion of 30 mL/g of crude oil) was added to the crude oil sample, and the mixture was refluxed for 1 h. Subsequently, the mixture was cooled and stored in the dark overnight, resulting in precipitation of the asphaltenes. The maltene fractions soluble in <i>n</i>-heptane were separated using open-column chromatography (3 × 40 cm) after previously being adsorbed on activated neutral alumina (80–200 mesh, Brockmann I, Sigma-Aldrich, Steinheim, Germany). Cyclohexane was used to elute the saturated fraction, which was analyzed by GC–MS, using a gas chromatography/triple quadrupole mass spectrometry system (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=TQ8040"><strong>GCMS-TQ8040</strong></a>, Shimadzu, Japan).</p><p>GC–MS was operated in electron ionization (EI) mode, following the conditions of Carregosa et al. <a href="javascript:void(0);" aria-label="reference 18">(18)</a> Briefly, the chromatographic separation was performed with a SH-RTX5SilMS capillary column [crossbond 1,4-bis(dimethylsiloxy)phenylene dimethylpolysiloxane, 30 m × 0.25 mm inner diameter, 0.25 μm film thickness, Restek, U.S.A.]. A 1 μL volume of the solution was injected in the splitless mode. The injector temperature was 300 °C. The oven temperature was programmed from 70 to 325 °C, at 3 °C min<sup>–1</sup>, resulting in a total chromatographic run time of 85 min. Helium (99.995% purity) was used as the carrier gas at a constant flow rate of 1 mL min<sup>–1</sup>. The mass spectrometer ion source and interface temperatures were 280 and 290 °C, respectively. The collision gas was Ar (99% purity), and the collision energy was set at 12 eV.</p><p>Multiple reaction monitoring (MRM) GC–MS analysis was performed to identify terpane and sterane compounds that could be employed as thermal evolution biomarkers. The <i>m</i>/<i>z</i> transitions monitored were <i>m</i>/<i>z</i> 370 &gt; 191, to calculate Ts/Tm and Ts/(Ts + Tm) ratios, and <i>m</i>/<i>z</i> 412 &gt; 191, to calculate C<sub>32</sub><i>S</i>/(<i>S</i> + <i>R</i>) ratios.</p><h3><strong>Results and Discussion</strong></h3><h4><strong>&nbsp;ESI(−) FT–MS of the Crude Oils</strong></h4><p>The six crude oils analyzed by ESI(−) FT–MS presented a complex chemical mixture, with a wide range of polar compounds, as also described by Santos et al. <a href="javascript:void(0);" aria-label="reference 17">(17)</a> A representative MS spectrum is shown for the AL crude oil (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.energyfuels.4c03496#fig4" data-tab="pane-pcw-Figures" id="">Figure 4</a>a), with expansion to visualize the deprotonated ions of 2,6DPO (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.energyfuels.4c03496#fig4" data-tab="pane-pcw-Figures" id="">Figure 4</a>b) and 1DP (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.energyfuels.4c03496#fig4" data-tab="pane-pcw-Figures" id="">Figure 4</a>c), to highlight that only the standard compound and its 1DP product from Py were naturally present in the chemical composition of the oil.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Energy_Fuels_2024_38_22_21932_21940_Exploratory_Analysis_of_Crude_Oil_Thermal_Evolution_by_Ultra_High_Resolution_Mass_Spectrometry_Figure_4_832bae4e51.jpeg" alt="Energy Fuels 2024, 38, 22, 21932–21940 - Exploratory Analysis of Crude Oil Thermal Evolution by Ultra-High-Resolution Mass Spectrometry - Figure 4. ESI(−) FT–MS spectrum of (a) AL, with expansions at (b) m/z 121–123, highlighting 2,6DPO, and (c) m/z 241, highlighting 1DP." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Energy_Fuels_2024_38_22_21932_21940_Exploratory_Analysis_of_Crude_Oil_Thermal_Evolution_by_Ultra_High_Resolution_Mass_Spectrometry_Figure_4_832bae4e51.jpeg 99w," sizes="100vw" width="1600" height="2528"></p><p>The ESI(−) FT–MS data for all of the crude oils are shown in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.energyfuels.4c03496/suppl_file/ef4c03496_si_001.pdf">Figures S2</a>–<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.energyfuels.4c03496/suppl_file/ef4c03496_si_001.pdf">S6</a> of the Supporting Information for the CA, PI, SE, O3, and O16 samples, respectively. The presence of ions corresponding to 2,6DPO and its 1DP product from Py was found for all of the crude oils analyzed. The <i>m</i>/<i>z</i>, molecular formula, DBE, and structures are summarized in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.energyfuels.4c03496#tbl2" data-id="tbl2">Table 2</a>.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Energy_Fuels_2024_38_22_21932_21940_Exploratory_Analysis_of_Crude_Oil_Thermal_Evolution_by_Ultra_High_Resolution_Mass_Spectrometry_Table_2_6367dc796b.jpg" alt="Energy Fuels 2024, 38, 22, 21932–21940 - Exploratory Analysis of Crude Oil Thermal Evolution by Ultra-High-Resolution Mass Spectrometry - Table 2. ESI(−) FT–MS Data for the Six Crude Oils Related to the 2,6DPO and 1DP Compounds" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Energy_Fuels_2024_38_22_21932_21940_Exploratory_Analysis_of_Crude_Oil_Thermal_Evolution_by_Ultra_High_Resolution_Mass_Spectrometry_Table_2_6367dc796b.jpg 176w," sizes="100vw" width="814" height="722"></p><p>Both compounds were naturally present in all of the crude oils but in different abundances, reinforcing that a relation between the abundances of the ions could be explored in the geochemical context of thermal evolution.</p><h3><strong>Conclusion</strong></h3><p>The thermal behaviors of 14 typical petroleum compounds were evaluated on the basis of ESI(±) FT–MS analyses, to identify a potential geochemical biomarker of thermal evolution among the polar compounds present in the oils. It was found that pyrolysis of 2,6-dimethyl-pyridin-4-ol (2,6DPO) led to the formation of product ions, which were also observed in the FT–MS analyses of the crude oils. MS/MS analysis identified the main thermal product as 2,2-[(ethene-1,2-diyl)]bis(6-methylpyridin-4-ol), denoted 1DP. These ions were used in a proposed indicator, denoted the MS ratio, which could be used to evaluate the degree of thermal evolution of oils based on FT–MS analysis. The resulting MS ratio values were directly correlated with the values of classical diagnostic ratios [Ts/Tm, Ts/(Ts + Tm), and C<sub>32</sub><i>S</i>/(<i>S</i> + <i>R</i>)], obtained by GC–MS, and showed the same order of thermal evolution for the six crude oils evaluated. Therefore, the MS ratio is a tool that can be used to infer the thermal evolution of oils, focusing on the polar compounds, as an alternative to the traditional methods based on GC–MS, with the advantages of simpler direct analysis and faster data acquisition. Furthermore, the MS ratio offers potential advancements in geochemical research by enhancing the tracking of polar molecules, which are often neglected in traditional biomarker analysis. This method has practical implications for geochemical studies, enabling rapid and accurate evaluations of oil maturity degrees.</p>

Exploratory Analysis of Crude Oil Thermal Evolution by Ultra-High-Resolution Mass Spectrometry

<div><div id=""><div><div><div><div><strong>Extension for Detailed Hydrocarbon Analysis. It allows the determination of individual components in spark ignition engine fuels.</strong></div></div></div></div></div></div><div><div id=""><div><div><div><div><div><p>DHA Extension brings you the ability to calculate the properties of the samples directly in the chromatography software with the complete workflow of <strong>data acquisition</strong>, <strong>peak calibration</strong>, <strong>DHA calculations</strong> based on supported norms and reporting. These methods are often referred to as <strong>PONA</strong>, <strong>PIONA</strong>, <strong>O-PON</strong>A, etc.</p><p>Calculations in the <strong>DHA Extension</strong> currently support the <strong>ASTM D-6730</strong> standard and methods developed by <strong>Dani Instruments SA</strong>.</p><figure class="image"><img style="aspect-ratio:1151/879;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_edfc9ba1f3.jpg" alt="DataApex: DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_edfc9ba1f3.jpg 204w," sizes="100vw" width="1151" height="879"></figure></div></div></div></div></div></div></div><p>You can create an <strong>additional custom method</strong> based on your own laboratory condititions or we can implement a standard method as part of the DHA extension at your request.</p><p>If you request to implement another norm in the DHA Extension, please contact us at <a href="mailto:support@dataapex.com">support@dataapex.com</a>.</p><p>The DHA Extension is optional and it can only be used together with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999"><strong>Clarity</strong></a>.</p><p>Note that for more complex DHA calculations, Clarity DHA Extension should be complemented by specialized software (e.g. Dragon II DHA© - see the <a target="_blank" rel="noopener noreferrer" href="https://www.dataapex.com/downloads/26175/view">D151 datasheet</a> for more details).</p><p><strong>The DHA Extension is an optional fully integrated addition to </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999"><strong>Clarity software</strong></a><strong>. It can be ordered as part of a new installation or as an extension to an existing one. There are two variants to this extension:</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_bc1e53cf67.jpg" alt="DataApex: DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_bc1e53cf67.jpg 211w," sizes="100vw" width="1223" height="906"></p><h5><strong>p/n A33</strong></h5><ul><li>includes general ASTM-D6730 standard method and the possibility to create custom method.</li></ul><h5><strong>p/n A331</strong></h5><ul><li>includes additional methods developed by DANI Instruments S.p.A</li></ul><h3 data-start="49" data-end="78"><strong data-start="53" data-end="76">Norms specification</strong></h3><h4 data-start="80" data-end="102"><strong data-start="85" data-end="100">ASTM D-6730</strong></h4><ul data-start="103" data-end="302"><li data-start="103" data-end="127">Included in p/n A33.</li><li data-start="128" data-end="302">Standard Test Method for Determination of Individual Components in Spark Ignition Engine Fuels by 100-Metre Capillary (with Precolumn) High-Resolution Gas Chromatography.</li></ul><h4 data-start="304" data-end="328"><strong data-start="309" data-end="326">Custom Method</strong></h4><ul data-start="329" data-end="441"><li data-start="329" data-end="353">Included in p/n A33.</li><li data-start="354" data-end="441">Allows you to create a custom method which meets the conditions in your laboratory.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_3_f5e659a432.jpg" alt="DataApex: DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_3_f5e659a432.jpg 245w," sizes="100vw" width="1233" height="756"></p><h4><strong data-start="452" data-end="475">ASTM D-6730 by DANI</strong></h4><ul data-start="478" data-end="578"><li data-start="478" data-end="535">Method by Dani Instruments SA with cryogenic cooling.</li><li data-start="536" data-end="578">Available only at Dani Instruments SA.</li></ul><h4 data-start="580" data-end="619"><strong data-start="585" data-end="617">ASTM D 2421-02 and D 2598-02</strong></h4><ul data-start="620" data-end="720"><li data-start="620" data-end="677">Method by Dani Instruments SA with cryogenic cooling.</li><li data-start="678" data-end="720">Available only at Dani Instruments SA.</li></ul><h4><strong data-start="731" data-end="758">Extension specification</strong></h4><ul data-start="761" data-end="911"><li data-start="761" data-end="782"><strong data-start="763" data-end="776">Part No.:</strong> A33</li><li data-start="783" data-end="911"><strong data-start="785" data-end="806">Related products:</strong><ul data-start="811" data-end="911"><li data-start="811" data-end="832"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999">Clarity</a> (p/n C50)</li><li data-start="835" data-end="864"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1000">Clarity Offline</a> (p/n C59)</li><li data-start="867" data-end="911">GC or AS Control module (p/n A23 or A26)</li></ul></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_d15379bcdf.jpg" alt="DataApex: DataApex Clarity DHA - Detailed Hydrocarbon Analysis Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_d15379bcdf.jpg 245w," sizes="100vw" width="1995" height="1182"></p>

DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 17th February 2025? 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 notes by <strong>Agilent Technologies&nbsp; </strong>and <strong>Shimadzu </strong>and product spotlight by<strong> Thermo Fisher Scientific</strong>!</p><h4><strong>1. Agilent Technologies: Extractable Pollutants from Microplastics to Vegetables: Incorporation to the Food Chain</strong></h4><p><strong>Using static headspace GC/MS with the Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F5977B"><strong>8890 GC and 5977B GC/MSD</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_extractable_pollutants_from_microplastics_to_vegetables_5994_7882en_agilent_5b4df39dff.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Most studies of organic pollutants in vegetables focus on persistent organic pollutants (POPs)<sup>10,11</sup>, which are extracted from samples and usually monitored by liquid chromatography (LC).<sup>12</sup> However, the accumulation of MP-associated pollutants in vegetables has hardly been evaluated.</p><p><strong>This application note presents:</strong></p><ol><li>A developed and validated approach to the targeted and<br>untargeted analyses of MP-associated pollutants found in vegetables</li><li>Quantitation of MP pollutants</li><li>Assessment of the influence of vegetable type (edible- versus nonedible-roots) on the intake of MP-associated pollutants</li><li>The accumulation and environmental migration pathways of the MP pollutants</li></ol><p>In this application note, an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=SHS-GC%2FMS"><strong>SHS-GC/MS</strong></a> method involving a static headspace coupled to an 8890 GC and 5977B GC/MSD was used for the evaluation of volatile extractables from plastic residues present in vegetable matrices. This technique is well suited to extract volatile compounds from different samples due to its simplicity, automation, speed, low cost, and minimal sample preparation requirements.<sup>13–15</sup> Additionally, the application of MS in combination with a spectral deconvolution and retention indices (RIs) enabled advanced detection and identification of volatile MPassociated pollutants in vegetable matrices.&nbsp;</p><h4><strong>Conclusion</strong></h4><p>A straightforward, reliable, and robust SHS-GC/MS methodology using an Agilent 8890 GC and an Agilent 5977B GC/MSD was developed to identify and quantify plasticassociated pollutants in vegetable samples. The method represents a preliminary approach to assess the impact of agricultural MP contamination on food. The obtained data add new information to the mobility of MP leachates from agricultural soils to vegetables. The application of chemometrics to the dataset acquired from the SHS-GC/MS analysis has demonstrated that the accumulation of these organic pollutants was higher in edibleroot than nonedible-root vegetables. The main contributors to this differentiation were 2,4-di-tert-butylphenol, cumene, 2-tert-butyl-4 methylphenol, and 2,4-dimethylphenol, which are chemicals associated with plastic contamination. Specifically, cumene may be related to polystyrene (PS) pollution.</p><p>A total of 92 putative compounds were accurately identified using spectral deconvolution retention indices (RIs). In the samples, plastic-associated compounds were quantified. Their contents varied from 0.14 to 28,800 ng/g for 2,4-di-tert-butylphenol and p,α-dimethylstyrene, respectively. The presence of phenylacetaldehyde in all the samples, as well as styrene, cumene, and p,α-dimethylstyrene in some of them, indicated PS contamination. Other compounds found in the studied vegetables, such as xylene isomers and ethylbenzene, highlighted potential contamination of other polymeric materials like polyvinyl chloride (PVC) or polyethylene terephthalate (PET).</p><h4><strong>2. Shimadzu: Analysis of Essential Oil Using GC-MS/FID Detector Splitting System</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00819_en_c5c92dcd13.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The detector splitting system allows for simultaneous acquisition of MS and FID data in a single measurement.</li><li>Even complex samples can undergo simplified statistical analysis using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=eMSTAT+Solution"><strong>eMSTAT Solution<sup>TM</sup></strong></a>.</li><li>The combination of the compact <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GC-2050"><strong>Brevis<sup>TM</sup> GC-2050</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2050"><strong>GCMS-QP2050</strong></a> enables space-saving in the laboratory.</li></ul><p>In this application, five types of Hinoki oils, including Hinoki oil made by our company and Hinoki oils from different regions, were analyzed using the detector splitting system between MS and FID. The results from MS were compared using eMSTAT Solution to analyze the composition of the components. Additionally, the quantification of δ Cadinene, an important aromatic component that is a sesquiterpene was conducted using FID, which showed high calibration linearity over a wide concentration range. Furthermore, with a compact width of approximately 63 cm, the device configuration of Brevis GC-2050 + GCMS-QP2050 not only contributes to space-saving in the lab but also demonstrates high analytical performance.</p><h5><strong>Essential Oil Analysis Using GC-MS/FID</strong></h5><p>In quality control (QC) of fragrances like Hinoki oil, where a wide concentration range is typically expected, GC-FID, which provides detector response over a broad range, is commonly used. By comparing the chromatogram shapes of product samples obtained during the production process with approved reference samples, the component profile is confirmed. However, in the case of Hinoki oil containing numerous components, qualitative analysis of each peak becomes challenging with an FID detector. Therefore, by using the detectorsplitting system between MS and FID, it is possible to obtain data from both MS and FID simultaneously in a single measurement. This allows for the usual confirmation of chromatogram shapes with FID and enables qualitative analysis with MS when unknown components are detected.</p><h5><strong>System Configuration and Analysis Conditions</strong></h5><p>The system configuration and analysis conditions are shown in Table 1 and 2, respectively In this analysis, SMI (Smart Micro Inert) FLOW DEVICE 2-Way Splitter for detector splitting was used (Fig. 1). The SMI FLOW DEVICE is a capillary flow device for analysis with features such as low leakage, low dead volume, low heat capacity, and inertness. This allows for the analysis of highly adsorptive components. We adjusted the inner diameter of the resistors used for MS/FID detector Splitting, as well as the pressure of the AUX-APC (Digital Flow Controller), to set the split ratio at approximately 1:3 for MS:FID. By using eMSTAT Solution for analysis, we visually grasped the differences in component characteristics of each Hinoki oil and identified the compounds contributing to those differences.</p><h4><strong>Conclusion</strong></h4><p>Five different types of Hinoki oils were analyzed using a detector splitting system with MS and FID. When conducting multivariate analysis with the results from MS using eMSTAT Solution, it was possible to visually capture the differences in component characteristics. It was revealed that (-)-Borneol is a characteristic component of Shimadzu oil. Additionally, accurate quantification of δ-Cadinene, which varies significantly in concentration among samples, was achieved using FID.</p><h4><strong>3. Thermo Fisher Scientific: Fully automated method implementation for compliant analysis of polychlorinated dibenzodioxins/furans by GC-MS/MS</strong></h4><ul><li>Other</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003541_gc_ms_eworkflow_dioxin_sl003541_na_en_9f48797bef.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Performance-based methodology for dioxin analysis is applied within the EU to ensure accurate reporting of dioxin levels within food and feed. Results are evaluated according to strict quality control and reporting criteria. For analytical testing laboratories, this often means a significant time investment for adoption and implementation of the methodology for dioxin analysis, as well as a requirement for highly skilled operators. Even for laboratories experienced with GC-MS-based test procedures, the addition of dioxin testing to the overall portfolio is demanding. To simplify this process, a dedicated eWorkflow™ template is available within the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=chromeleon"><strong>Chromeleon™</strong></a> Chromatography Data System. This eWorkflow template is available for the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TSQ+9610"><strong>TSQ™ 9610 </strong></a>triple quadrupole GC-MS/MS system and is free to download from the Thermo Scientific™ AppsLab™ Library of Analytical Applications (Dioxin eWorkflow).&nbsp;</p><p>Processing methods within the Dioxin eWorkflow template use isotopic dilution for quantitation, allowing users to perform data acquisition and real-time quantitation within the same software. Spiking levels of both syringe and internal standard can be defined per injection, permitting samples spiked with different levels of internal or syringe standard concentration to be analyzed in a single sequence. This can be seen in Figure 3 where internal standard concentration level within the sequence is defined at different levels for calibration standards (i.e., PCDD/F CS1), check standards (LOQ, LOQ/2, LOQ/4), and blank/sample injections (Sample).</p><p>The Dioxin eWorkflow template allows analytical testing laboratories to easily implement compliant analytical methodology for dioxin analysis. It delivers validated data acquisition/processing methods and reporting templates for dioxin analysis, helping remove time-consuming steps around method development and data processing.</p><p><strong>Included within the Dioxin eWorkflow template:</strong></p><ul><li>Injection sequence templates with pre-optimized analytical parameters for method injection and data acquisition.</li><li>Incorporation of isotopic dilution quantitation, removing the need for additional software or script writing to perform data calculations.</li><li>Interactive tables and charts to facilitate quick data evaluation for compliance purposes.</li><li>Fully customizable data evaluation and report layout templates based on the analyst’s needs.</li></ul>

News from LabRulezGCMS Library - Week 8, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th February 2025? 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 notes by <strong>Agilent Technologies, Knauer&nbsp; </strong>and <strong>Shimadzu</strong>!</p><h4><strong>1. Agilent Technologies: Analysis of 65 Volatile Organic Compounds in Ambient Air by Canister Sampling Using an Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F5977"><strong>8890/5977</strong></a><strong> GC/MSD</strong></h4><h5><strong>A method using both scan and SIM mode that fully meets the requirements in the HJ 759-2023 standard</strong></h5><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_voc_air_gc_msd_5994_7723en_agilent_4b88e40417.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This application note introduces the use of a canister for gas sampling. Samples were introduced into an Agilent 8890 gas chromatograph (GC) with an Agilent 5977 single quadrupole mass selective detector (MSD) and the Markes Multi-Gas thermal desorption (TD), to analyze volatile organic compounds (VOCs) in the atmosphere or in semiconductor cleanrooms. The results of linearity, reproducibility, and detection limit fully met the requirements of the China method HJ759-2023. This method is widely used as a reference both in environmental laboratories and semiconductor cleanrooms. The linear correlation coefficient for all 65 compounds was greater than 0.991, with 86% of compounds having a value greater than 0.999. The results of reproducibility in scan mode varied between 0.3 to 6.8%, while results in SIM mode varied between 1.1 to 6.7%. The sampling volume was 300 mL, which resulted in detection limits of 0.013 to 0.113 nmol/mol for scan mode and 0.002 to 0.013 nmol/mol for SIM mode.&nbsp;</p><h4><strong>Experimental</strong></h4><p>This study was performed on an 8890 GC coupled to a 5977 single quadrupole GC/MSD with an electron ionization (EI) source. A Markes Multi-Gas thermal desorption sample introduction and preconcentration system was used and included three modules:</p><ul><li>CIA Advantage-xr (CIA): canister autosampler</li><li>Kori-xr: water removal module</li><li>Unity-xr: thermal desorption instrument</li></ul><p>First, three internal standards (ISTDs) were introduced into the Unity trap by CIA. Then, the sample was passed through a heated transfer line through the CIA Advantage<br>into the Kori for water removal. Finally, the sample flowed into the focusing cold trap of the Unity for preconcentration. Eventually, the Unity trap was desorbed at high temperature, and the 65 VOCs and three ISTDs all entered the GC/MSD for analysis. Figure 1 shows the flow path of the combined system.&nbsp;</p><h4><strong>Conclusion</strong></h4><p>An Agilent 8890/5977 GC/MSD system, equipped with a Multi-Gas CIA Advantage-xr TD provides a robust analytical procedure for the analysis of 65 VOCs in ambient air. This system offers a highly efficient and highly sensitive solution for the simultaneous analysis of multiple VOCs in both atmospheric quality monitoring laboratories and semiconductor cleanrooms. Based on different application requirements, users can choose to collect data in scan or SIM mode, demonstrating the flexibility of Agilent instruments. Excellent analytical performance has been achieved based on this system both in scan and SIM mode, which fully meets the requirements detailed in method HJ 759-2023.</p><h4><strong>2. Knauer: GPC vs. SPE and subsequent determination of polycyclic aromatic hydrocarbons using GC/MS</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VEV_0081_Comparison_of_GPC_and_SPE_purification_methods_of_sludge_samples_FINAL_web_376100390f.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental pollutants generated primarily during the incomplete combustion of organic materials. The removal of PAHs from the atmosphere by dry and wet deposition processes are strongly influenced by their gas/particle partitioning. Atmospheric deposition is a major source for PAHs in soil [1] which can be determined by various extraction and purification processes, subsequently detected by a GC/MS using the reference method UNI EN 15527. Our main purpose is to demonstrate that the purification of environmental matrix with high organic component using the gel permeation chromatography purification (AZURA GPC Cleanup, FS conditioned resins CHEX/DCM), compared to a SPE purification, allows are well-defined separation time of the analytes and it can provide narrow bands without their physical chemical interaction with the column, resulting in less chance of loss of analytes [2]. This differs from other separation techniques which depend upon chemical or physical interactions to separate analytes [3].</p><h4><strong>Conclusion</strong></h4><p>The GPC cleanup procedure of mud sludge samples prior analysis of PAHs with GC/MS technique is a good alternative to SPE purification steps. Advantages like better S/N ratios and third mass identification are obvious. The automatization of the GPC Cleanup using AZURA GPC Cleanup system yields high efficiency of the application.</p><h4><strong>3. Shimadzu: Material Analysis of Microplastics in River Water - FTIR and Pyrolysis-GC-MS Analysis</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00806_en_c2c7bba8be.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Automated pretreatment of microplastics (MPs) reduces workload and enables highly reproducible pretreatment.</li><li>Material analysis of MPs processed by the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=MAP-100"><strong>MAP-100</strong></a> device can be easily performed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=FTIR-ATR"><strong>FTIR+ATR.</strong></a></li><li>Highly reproducible GC-MS analysis of MPs is possible by homogeneously pulverizing samples with Cryogenic Mill (IQ MILL-2070).</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=EGA%2FPY-3030D"><strong>Pyrolysis</strong></a>-<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2020+NX"><strong>GC-MS</strong></a> can measure the weight of multiple types of plastics even when they are mixed.</li></ul><p>Microplastics (MPs) are microscopic plastic particles measuring a few µm to 5 mm in size. They are feared to have an impact on ocean pollution and ecosystems. Against this backdrop, surveys and studies on MPs in surface waters such as oceans, rivers, lakes and marshes are being conducted worldwide. Fourier Transform Infrared Spectrophotometer (FTIR) is often used for material analysis of MPs. ASTM recently published the D8401-24 standard test method for the qualitative and quantitative determination of MPs in water that uses a pyrolysis gas chromatograph mass spectrometer (Py-GC-MS). In this application news, a sample taken from a river was pretreated and analyzed for MPs using FTIR and Py-GC-MS.</p><h4><strong>Conclusion</strong></h4><p>Samples collected from river water were automatically pretreated using MAP-100, and the MPs materials were then analyzed by FTIR and Py-GC-MS. PP, PE and EVA were detected in both instruments, indicating that PP and PE are the main components (Fig. 8). Using an FTIR, individual qualitative results can be obtained easily, and the number ratios and densities can be calculated. Py-GC-MS also provides a more accurate massto material ratio (%). The system supports screening methods that take advantage of the features of each instrument, from preparation to analysis of MPs.</p>

News from LabRulezGCMS Library - Week 9, 2025

<p>Every chromatographer knows that selecting the right fitting components is essential for the smooth operation of an HPLC system. One of the critical elements is the <a target="_blank" rel="noopener noreferrer" href="https://watrex.com/suppliers/?utm_source=labrulez&amp;utm_medium=propagace&amp;utm_campaign=labrulez_clanky"><strong>NUT</strong></a> – the part responsible for <strong>ensuring the ferrule creates a secure, leak-free connection</strong>.</p><h4><strong>What should you consider when choosing a nut?</strong></h4><h5><strong>#1 Thread Types Matter</strong></h5><p><strong>External or internal?</strong> Each has its specific applications. Most nuts have “external threads“,however Some nuts have “internal threads”.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Watrex_Picture_1_Different_between_Externally_Threaded_and_Internally_Threaded_Nuts_eec6ae8c86.jpg" alt="Watrex: Picture 1: Different between ExternallyThreaded and Internally-Threaded Nuts." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Watrex_Picture_1_Different_between_Externally_Threaded_and_Internally_Threaded_Nuts_eec6ae8c86.jpg 245w," sizes="100vw" width="1667" height="833"></p><h5><strong>#2 Head Geometry</strong></h5><p><strong>Knurled, hexagonal, square, winged? </strong>The right design makes tightening easier. Nuts come in various head designs, each suited to specific needs:</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Watrex_Picture_2_Variants_of_head_geometry_20a9a263d9.jpg" alt="Watrex: Picture 2: Variants of head geometry." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Watrex_Picture_2_Variants_of_head_geometry_20a9a263d9.jpg 245w," sizes="100vw" width="1667" height="833"></p><h5><strong>#3 Size Matters!</strong></h5><p><strong>Nut Length:</strong> Long nuts work well in angled or tight spaces, while short nuts suit compact systems. Thru-Hole Diameter: Matches the tubing’s outer diameter.</p><h5><strong>#4 Materials</strong></h5><p><strong>Stainless steel or polymer?</strong> Each material has unique advantages for diferent applications.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Watrex_Picture_3_Materials_in_which_nuts_can_be_found_8541810917.jpg" alt="Watrex: Picture 3: Materials in which nuts can be found." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Watrex_Picture_3_Materials_in_which_nuts_can_be_found_8541810917.jpg 245w," sizes="100vw" width="1667" height="833"></p><h3><strong>Why does it matter?</strong></h3><p>Choosing the right nut ensures precision, reliability, and ease of use for your HPLC system.</p><p><strong>Choose from our suppliers: </strong><a target="_blank" rel="noopener noreferrer" href="https://watrex.com/suppliers/?utm_source=labrulez&amp;utm_medium=propagace&amp;utm_campaign=labrulez_clanky"><strong>Vici, IDEX and Optimize Technologies</strong></a><strong>.</strong></p><p><strong>Need Help Choosing the Right Nut?</strong> Contact us at: watrex@watrex.com</p>

4 things you should know about the chromatography nuts!

<p><strong>For analytical scientists working with chromatography and mass spectrometry, protecting sensitive information is crucial. Advances in instrument and software technology, combined with increased demands for in-depth analytics, has significantly increased the volume of valuable data that must be safeguarded from unauthorized access and potential breaches. One effective strategy to enhance security is to centralize data management, storing data away from the initial point of acquisition. Let us explore how this approach can significantly strengthen security for chromatography and mass spectrometry users and facilitate adherence to regulatory compliance measures surrounding electronic records.&nbsp;</strong></p><h4><strong>Understanding the analytical science landscape&nbsp;</strong></h4><p>Chromatography and mass spectrometry are critical techniques in many fields including pharmaceuticals, environmental analysis and biochemistry. The data generated from these methods includes intricate details about potentially proprietary chemical compositions and biological information. Protecting this data is crucial to maintaining the integrity of scientific research and the competitive edge of organizations.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Enhanced_Security_Through_Centralized_Data_Management_A_guide_for_Chromatography_and_Mass_Spectrometry_Users_95f6d464f1.webp" alt="Thermo Fisher Scientific: Enhanced Security Through Centralized Data Management - A guide for Chromatography and Mass Spectrometry Users" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Enhanced_Security_Through_Centralized_Data_Management_A_guide_for_Chromatography_and_Mass_Spectrometry_Users_95f6d464f1.webp 245w," sizes="100vw" width="1200" height="600"></p><h4><strong>The data security challenge&nbsp;</strong></h4><p>Data acquisition, processing, storage and reporting has traditionally been conducted on isolated, static hardware-bound workstations. This approach presents significant security risks:</p><ul><li><strong>Single point of failure: </strong>An isolated system with poor backup strategies can be vulnerable to catastrophic data loss via accidental damage or environmental changes. Any compromise can lead to data corruption, loss or unauthorized alterations.&nbsp;</li><li><strong>Accessibility and convenience: </strong>Storing and processing data in a noisy lab environment can be inconvenient and impractical. Technical staff are often competing for access to instruments using the same workstation that others need for processing. This often leads to users manually transferring data outside of a controlled system for processing elsewhere. &nbsp;</li></ul><h4><strong>The case for centralized data management&nbsp;</strong></h4><p>Centralizing data management involves storing data in a central server location, away from the initial point of data acquisition. Here is how this approach can enhance security and usability for chromatography and mass spectrometry users:</p><ul><li><strong>Reduced risk:</strong> A centralized system that has redundancies and backups in place can alleviate the risks associated with a single point of failure. Attackers trying to gain access will also have to deal with robust security measures not typically seen with isolated workstations&nbsp;</li><li><strong>Enhanced data integrity: </strong>With separate systems for acquisition and storage, the integrity of the data is better preserved. Any unauthorized changes on the acquisition workstation will not directly affect the stored data.&nbsp;</li><li><strong>Remote access and flexibility</strong>: Centralized data storage allows users to securely and conveniently access data from anywhere without manual transfer or copying the data.&nbsp;</li></ul><h4><strong>Data retention, integrity and auditing&nbsp;</strong></h4><p>Compliance with regulatory bodies such as the FDA (Food and Drug Administration) and &nbsp;EMA (European Medicines Agency) involves meeting stringent requirements for data integrity, security and retention. Centralized data management can help meet these requirements.</p><ul><li><strong>Data integrity and audit trails:</strong> Separating acquisition from storage lets organizations ensure long-term raw data integrity and traceability by controlling access and providing audit trails.&nbsp;</li><li><strong>Secure data retention: </strong>Regulations often mandate that data submissions be stored securely for extended periods. Dedicated data storage solutions can be designed to meet these requirements of large data volumes in a cost-effective way, while also protecting data from unauthorized access, accidental damage and environmental threats. &nbsp;</li></ul><h4><strong>Practical implementation considerations for data security&nbsp;</strong></h4><p>Chromatography and mass spectrometry users looking to deploy a centralized data management system should consider some data security essentials:</p><ul><li><strong>Secure data transfer protocols:</strong> Use of encrypted channels for transferring data from the acquisition point to the central storage system.&nbsp;</li><li><strong>Robust authentication mechanisms:</strong> Multi-factor authentication (MFA) to control access to both acquisition and storage systems. Single sign-on (SSO) systems also offer convenience.&nbsp;</li><li><strong>Accessible audit trails and monitoring: </strong>Conducting regular security audits and continuous monitoring to detect and respond to potential threats promptly.&nbsp;</li><li><strong>Leverage cloud solutions:</strong> Consider using cloud-based solutions that offer built-in security features for both data acquisition and storage. Many cloud providers offer specialized services that can help segregate these functions securely.&nbsp;</li><li><strong>Compliance-focused data management: </strong>Ensure that the data management strategy aligns with regulatory requirements for data integrity, security and retention. This includes maintaining detailed records of data acquisition, storage, and processing activities.&nbsp;</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>Centralizing data management by storing data away from the initial point of acquisition is a powerful strategy to enhance data security and facilitate regulatory compliance. Centralized data can be securely managed and shared remotely, allowing users to access data independently from the lab-bound workstations used for acquisition. Adopting secure data transfer protocols and robust authentication mechanisms can be made easier with modern cloud solutions. Scientists should feel empowered by these tools to protect their valuable data and maintain the integrity of their research. &nbsp;</p>

Enhanced Security Through Centralized Data Management: A guide for Chromatography and Mass Spectrometry Users

Petr Viewegh’s Microcosm and Macrocosm

<p><strong>In the week from February 24, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong data-start="64" data-end="165">1. Agilent Technologies: Detecting Microplastics in Cannabis: An Analysis Using LDIR Spectroscopy</strong></h5><ul data-start="167" data-end="214"><li data-start="167" data-end="201">Tu, 25.2.2025</li><li data-start="202" data-end="214"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/2772">Registration</a></li></ul><p data-start="216" data-end="280">Detecting Microplastics in Cannabis: An Analysis Using LDIR Spectroscopy.</p><h5><strong data-start="282" data-end="393">2. Separation Science/Biotage: Automated Sample Preparation for Multi-Residue Pesticide Analysis by LC-MS and GC-MS</strong></h5><ul data-start="395" data-end="443"><li data-start="395" data-end="430">We, 26.2.2025</li><li data-start="431" data-end="443"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4724">Registration</a></li></ul><p data-start="445" data-end="600">Learn how Biotage's automated preparation workflow can analyze the entire panel and produce results equivalent to manual preparation.</p><h5><strong data-start="602" data-end="718">3. LECO: Detailed Hydrocarbon Type Analysis of Aviation Fuels: Navigating the Challenges of Evolving Feed Stocks</strong></h5><ul data-start="720" data-end="768"><li data-start="720" data-end="755">We, 26.2.2025</li><li data-start="756" data-end="768"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4687">Registration</a></li></ul><p data-start="770" data-end="979">This webinar will review both historical and contemporary analytical methods used for HTA, with a focus on the evolving challenges associated with achieving accurate identification and quantification with GCxGC</p><h5><strong data-start="602" data-end="718">4. Wiley: Advances in Spectral Identification: SmartSpectra, Classifications, &amp; More!</strong></h5><ul data-start="720" data-end="768"><li data-start="720" data-end="755">We, 26.2.2025</li><li data-start="756" data-end="768"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4789">Registration</a></li></ul><p data-start="770" data-end="979">This webinar covers the latest advances in spectral analysis, including Wiley’s KnowItAll models, SmartSpectra, and functional group analysis tools.</p>

Webinars LabRulezGCMS Week 9/2025

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Since 1991 DataApex develops and manufactures chromatography data stations. DataApex is constantly striving to provide users with efficient and up-to-date tools for chromatography data processing.

DataApex

Since its establishment in 2011, CEITEC has quickly developed into a cutting-edge infrastructure for research which performs highly alongside the best institutes in Europe. Among the main priorities of CEITEC are the promotion of a motivating and dynamic international scientific environment, the provision of state-of-the-art research infrastructure, and the policy of open communication and equal opportunities.

CEITEC

A unique company dedicated to serving science helping our customers drive productivity and accelerate results. Through our premier brands – Thermo Scientific, Applied Biosystems, Invitrogen, Fisher Scientific and Unity Lab Services.

Thermo Fisher Scientific

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.

LabRulez

ChromSolutions Ltd was formed in 2004 and has a wealth of experience in sample preparation for chromatography and spectroscopy techniques. With over 120 years of collective experience ChromSolutions offer an independent source of advice and solutions for modern analytical challenges.

ChromSolutions

WATREX Prague is the distributor and producer of HPLC techniques in the Czech Republic and Slovakia. Main Chromatografic and Related Techniques Supported: LC, GPC, IC, IEC, Automated SPE, LC Columns and special column packings, LC method development, Software development, Laboratory Robots.

4 things you should know about the chromatography nuts!

Petr Viewegh’s Microcosm and Macrocosm

Enhanced Security Through Centralized Data Management: A guide for Chromatography and Mass Spectrometry Users

News from LabRulezGCMS Library - Week 9, 2025

DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension

Webinars LabRulezGCMS Week 9/2025

Natural Gas Analyser C - Quick Reference Guide

News from LabRulezGCMS Library - Week 8, 2025

Clarity software - NGA (Natural Gas Analysis) Extension

Exploratory Analysis of Crude Oil Thermal Evolution by Ultra-High-Resolution Mass Spectrometry

Upcoming events

LECO Training Course Pegasus BT/BT4D BTX/BTX4D

Thermo Fisher Scientific Environmental & Food Safety Workshop Series 2026

LECO Separation Science Workshop

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How Do You Tackle Sample Prep for Diverse SVOCs?

Liner selection and injection techniques in GC

How to Perform Routine Quantification by FTIR: Tips & Tricks Workshop