Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 18th August 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you poster by Agilent Technologies / ASMS and application note by Shimadzu!<h3>1. Agilent Technologies / ASMS: New Pollutant Screening of Environmental Samples Using High-Resolution GC/Q-TOF and Accurate Mass Spectral Library of Emerging Environmental Pollutants&nbsp;</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_7250_pdcl_library_pal3_suremass_asms_2025_thp_083_en_agilent_3f1ac53d50.pdf">Full PDF for download</a></li></ul>This paper conducts qualitative and semi - quantitative analysis of complex GC/Q-TOF sample data by using high-resolution, accurate-mass gas chromatography/quadrupole time-of-flight mass spectrometry (GC/Q-TOF), an accurate mass spectral library of environmental pollutants specifically created for emerging pollutant screening, and analytical software with a screening process platform. Actual environmental water samples are used to verify the sensitivity, accuracy, and spiked recovery rate of the solution. All results confirm that this solution is simple, stable, and effective, providing technical support for emerging pollutant screening.<h4>Experimental</h4><h5>Instrument Analysis&nbsp;</h5>The samples were analyzed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">Agilent 8890 GC</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7250+GC%2FQ-TOF">7250 high resolution accurate mass GC/Q-TOF system</a>, It was configurated with a mid-column backflush setup (Figure 1). A 55.5 - min retention time locked GC oven temperature program is utilized which is listed in Table 1. The key mass spectrometry parameters of the GC/Q-TOF are as follows: It operates in the Electron Ionization (EI) mode with an energy of 70 electron volts, conducts detection in the time-of-flight scan mode within a mass-to-charge ratio range of 50 - 1000. The spectral acquisition rate is 5 Hz, and both the interface temperature and the source temperature are set at 280 °C. Data analysis is performed with the assistance of MassHunter data analysis software. The high-resolution accurate mass spectral library employed in the screening process is independently created by the laboratory.<h5>Data Analysis&nbsp;</h5><ul><li>The data processing used Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=Masshunter+software">Masshunter data analysis software</a>, including Suremass.&nbsp;</li><li>The target screening of new pollutants was based on an independently created by the laboratory GC/Q-TOF PCDL library1.</li></ul><h4>Conclusions&nbsp;</h4><ul><li>Based on the currently collected list of new pollutants, a truly meaningful new pollutant PCDL high-resolution spectral library has been created.&nbsp;</li><li>This work demonstrated a total workflow for targeted screening and semi-quantification in real water sample.&nbsp;</li><li>The confidence in identification of new pollutants was enhanced by stable RT and excellent mass accuracy as a result of using an RTL backflush method and highresolution accurate mass measurement.</li></ul><h3>2. Shimadzu: Analysis of SAF Using Comprehensive Two- Dimensional Gas Chromatography (GC× GC)&nbsp;</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00862_en_f1ee0a435f.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>By comparing chromatograms obtained as two-dimensional images, it can be utilized for quality control Inspection of SAF.</li><li>Changing the column combination customizes separation characteristics to the sample composition.</li><li>Utilizing the FASST (Fast Automated Scan/SIM Type) allows for the simultaneous analysis of the composition of SAF and the quantitative analysis of antioxidants.</li></ul>SAF (Sustainable Aviation Fuel) produced from waste cooking oil, used paper, and sugarcane has gained attention in recent years from the perspective of achieving a carbon neutral society. The physical properties of SAF,such as combustibility, vary depending on its components. Therefore, component analysis of SAF is crucial; however, since SAF is a mixture of various hydrocarbons, complete separation of each component is extremely challenging. Comprehensive two-dimensional gas chromatography (GC×GC), which utilizes the separation characteristics of two different types of columns, is an effective method for analyzing SAF with such a complex composition. Additionally, the GCMS-QP2050 enables ultra-fast scanning (30,000 u/sec), which improves the separation of adjacent peaks and allows for high-precision qualitative analysis(Application News No.01-00788-EN).In this application, two types of SAF (A and B) and one intermediate product from the SAF production process (C) were measured using a combination of GC×GC with a non-polar column as the first column and a medium-polarity column as the second column. The two-dimensional images allow for a visual representation of the composition distribution, making quality control Inspection. Moreover, high separation of paraffins and naphthenes using a combination of a medium-polar column as the first column and a non-polar column asthe second column, as well as the quantification of antioxidants in SAF, which are regulated by concentration in ASTM D2425 will be introduced.<h5>System Configuration</h5><ul><li>GC Model: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis%E2%84%A2+GC-2030">Nexis GC-2030</a> / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-30i">AOC-30i</a></li><li>MS Model: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> (TMP exhaust: 255 L/sec)</li><li>Injection Port: SPL</li><li>Modulator: ZX1 thermal modulator (ZOEX corp.)</li><li>Nitrogen generator: MT-24F (System Instruments Co., Ltd.)</li><li>Software:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Labsolutions+GCMS">LabsolutionsTM GCMS</a></li><li>GC Image (GC Image, LLC)</li></ul></li><li>Library: NIST Mass Spectral Library</li></ul><h4>Conclusion</h4>Three SAF samples were measured using a combination of lowpolar to medium polar columns and compared the twodimensional images. The two-dimensional images allow for intuitive comprehension of the distribution of each component, making it easy to identify differences in composition and conducting quality control Inspection. Additionally, in the measurement of SAF using a combination of medium-polar to non-polar columns, the separation of paraffins and naphthenes was improved. Furthermore, by utilizing the FASST, composition analysis of SAF and quantitative analysis of antioxidants were simultaneously performed, which are regulated by concentration in ASTM D2425.

News from LabRulezGCMS Library - Week 34, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 22nd September 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, EST Analytical, Shimadzu and Thermo Fisher Scientific!<h3>1. Agilent Technologies: A Chemometric Approach for Ambient Air Monitoring Using Thermal Desorption GC/MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_voc_8890_chemometric_ambient_air_monitoring_5994_8451en_agilent_fef7d171bb.pdf">Full PDF for download</a></li></ul>Monitoring VOCs is crucial for assessing air quality in industrial and urban settings. These compounds, which include propene, hexachlorobutadiene, and naphthalene, vary in volatility and encompass both polar and nonpolar chemicals. Recognizing the importance of standardized monitoring, the Bureau of Indian Standards (BIS) has developed specific methodologies for these compounds under the IS 5182 series.&nbsp;IS 5182-27 focuses on the measurement of vapor-phase organic chemicals such as vinyl chloride and nC22 hydrocarbons in air and gaseous emissions. This method employs diffusive (passive) sampling onto sorbent tubes or cartridges, followed by TD (see Figure 1) and capillary GC analysis. The passive sampling approach offers advantages in terms of ease of deployment and cost-effectiveness, making it suitable for widespread monitoring applications.To reveal relevant patterns and sources of variation in these large environmental datasets according to the IS-5182 guidance, this application note proposes chemometric analysis using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=6&amp;search=TD100-xr">Markes TD100-xr automated thermal desorber</a> (Figure 2) and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+gc">Agilent 8890 GC system</a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977c">5977C GC/MSD</a> (Figure 3). Chemometrics is a discipline that uses mathematics, statistics, and formal logic to design or select optimal experimental procedures. Chemometric techniques commonly used for clustering are the hierarchical agglomerative cluster analysis and PCA with factor analysis.<h4>Conclusion&nbsp;</h4>This application note highlights the comparison of different air sampling strategies and shows their effect on qualitative and quantitative analysis of VOCs. Active (pumped) sampling helped with faster analysis, which is required for controlled and sensitive real-time monitoring of ambient air. Chromatograms of air sampled at various locations showed the presence of VOCs such as benzene, toluene, ethyl benzene, and xylenes. Many common and unique compounds were found at each location. The intensity of these compounds showed variations at different locations. Fewer compounds with lower intensities were observed in air samples from a residential area, whereas more compounds with higher intensities were observed in air samples from a traffic area.&nbsp;Passive sampling was a comparatively cost‑effective and long-term approach and provided consistent replicate results. The chromatographic overlays of different sampling times indicated an increasing trend in peak intensities with respect to time. There was a considerable rise in peak intensities for the 1-week sampling period, as compared to 24-hour sampling. There was a slight rise in peak intensities for the 2-week sampling period, as compared to 1-week sampling. The PCA plot suggested the peak distribution obtained in each dataset. One-week sampling results showed consistent replicate results. Use of the chemometrics software Agilent Mass Profiler Professional added value by providing data visualization for interpretation.<h3>2. EST Analytical: USEPA 524.2 Method Validation Using the Evolution Purge and Trap Concentrator and the Centurion WS Autosampler</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Purge_and_Trap_524_2_Application_Note_2d327854f2.pdf">Full PDF for download</a></li></ul>USEPA Method 524.2 calls for purge and trap sampling coupled with a Gas Chromatograph (GC) and Mass Spectrometer (MS) for separation and analysis. It has an extensive list of compounds and requires lower detection limits due to its use in drinking water testing. A 20% relative standard deviation for compound response factors is required across the calibration curve while the calibration check standard analytes have to be within 30% of the expected concentration.&nbsp;Currently, this method calls for a 5mL or 25mL purge volume and a four minute desorb time. These method requirements can pose a challenge for the analyst due to the amount of moisture that is created. The negative effects of the increased water vapor include instability of the chromatography, band eluting and poor peak shape to name a few. A side effect of this instability is sample re-runs and lost laboratory productivity. In addition, a common practice for mitigating moisture is increasing the GC inlet split rate. This poses yet another difficulty as the increased split rate can result in reduced sensitivity. EST Analytical’s eight port valve in the Evolution purge and trap concentrator aids in limiting the water exposure because the water management of the system is not part of the desorb pathway. This feature also enables laboratories to use a smaller split ratio at the GC inlet thus increasing sensitivity.<h4>Experimental</h4>The sampling system used for this study was the<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160"> EST Analytical Evolution purge and trap concentrator </a>and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159">Centurion WS autosampler</a>. The concentrator was affixed with a Vocarb 3000 trap and connected to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890A">Agilent 7890A GC</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5975C">5975C inert XL MS</a>. The GC was configured with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=9&amp;search=Rxi-624+Sil+MS">Restek Rxi-624 Sil</a> MS 30m x 0.25mm x 1.4µm column. Sampling parameters are listed in Table 1 while Table 2 enumerates the GC/MS parameters.<h4>Conclusions</h4>This study demonstrated the effectiveness of the Evolution/Centurion purge and trap sampling system. The results passed all of the USEPA Method 524.2 criteria for both linearity and detection limits. Since the Evolution bypasses the water management trap during the four minute desorb process, the amount of water effecting the experiments was limited. Furthermore, the forty to one split ratio at the GC inlet provided excellent detection limits as the system was more sensitive to the low level standard requirements of the method. The lower split rate has an added benefit of reducing laboratory helium consumption when setting it against other system’s higher split ratios. Finally, the precision and percent recovery results showed the reliability of the system in producing accurate experimental findings.<h3>3. Shimadzu: Dual-Column Analysis of Blood AlcoholContent (BAC) Using Nitrogen Carrier Gas with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00899_en_af0d9bafe7.pdf">Full PDF for download</a></li></ul>Analysis of blood alcohol content (BAC) and other volatile organic compounds (VOCs) is essential for law enforcement agencies to determine alcohol intoxication and its role in traffic accidents, assaults, and injuries, as well as to identify the causes of certain criminal behaviors, poisonings, and so on.&nbsp;Typically, this analysis is performed by a gas chromatograph (GC) that is combined with a headspace sampler (HS) and a flame ionization detector (FID). Since accurate results are essential with BAC analysis, 2 columns can be used with different separation characteristics so that cross-checking can be performed. By using an integrated HS-GC system equipped with 2 FIDs connecting to a dual-column configuration, crosschecking can be performed in a single analysis. In this system, the columns are directly connected to the transfer line using a 2-hole ferrule, which minimizes sample losses due to adsorption.&nbsp;In addition to the high-end <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030">Nexis GC-2030</a>, Shimadzu also offers the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a> as a compact gas chromatography solution, and in this Application News, it is used with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20+NX+headspace+sampler">HS-20 NX headspace sampler </a>(Fig. 1) to perform BAC analysis. Hydrogen was used as the carrier gas in a similar experiment in Application News 01-00570, but in this experiment, nitrogen was used because it is a cheaper alternative carrier gas. Nitrogen generally has an adverse effect on separation, so this experiment also investigated the conditions for separation for 10 types of blood VOCs.<h4>Separation of 10 Blood VOCs&nbsp;</h4>A solution of 10 VOCs spiked with blood (0.1 mg/mL) was analyzed to determine the separation of methanol, acetaldehyde, ethanol, isopropyl alcohol, acetonitrile, acetone, tert-butanol, 1-propanol, methyl ethyl ketone, and ethyl acetate. The resulting chromatogram is shown in Fig. 6. All peaks were detected within 6.0 minutes in the BAC PLUS1 column and within 3.5 minutes in the BAC PLUS2 column, indicating good separation. The elution sequence of the 10 blood VOCs differed significantly between the columns, which enhanced the system’s qualitative capability. Table 4 shows the retention time of each compound and the repeatability (n=5) of the peak area ratio for the tert-butanol internal standard.<h4>Conclusion&nbsp;</h4>This experiment involved dual-column analysis of blood alcohol content (BAC) by the compact Brevis GC-2050 and the HS-20 NX. Dual-column configuration enables cross-checking in a single analysis. In addition, nitrogen was used as the carrier gas instead of helium. While hydrogen enables high-speed analysis, it also requires careful handling, so from the perspective of safety, installation of various optional tools such as hydrogen sensor and stop valve have been recommended. Nitrogen gas is relatively inexpensive and easy to handle, and this experiment demonstrated that it also provides reliable results while maintaining good separation.<h3>4. Thermo Fisher Scientific: Routine analysis of 7N high purity gallium phosphide by Glow Discharge Mass Spectrometry</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003578_ioms_gd_ms_element_gd_plus_gallium_an003578_em_en_1666255eb4.pdf">Full PDF for download</a></li></ul>Gallium phosphide (GaP) is a semiconductor material used in electronic and optoelectronic devices, including light-emitting Diodes (LEDs), solar cells as well as high-frequency and high-power electronics1-5. GaP wafers offer several advances over traditional silicon wafers, including high efficiency, high-speed operation, and highpower handling capabilities4-5.&nbsp;This application note describes the direct analysis of impurities in high purity gallium phosphide with sub-ppb detection limits using the Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1690">Element GD PLUS GD Mass Spectrometer</a>.&nbsp;<h4>Experiment&nbsp;</h4>The flat samples are analyzed directly, with no digestion required. Instrumental conditions for the analysis with the Element GD PLUS GD-MS are shown in Table 1. Potential sample surface contaminations were removed by short presputtering within the instrument.&nbsp;<h4>Method development&nbsp;</h4>The developed method ensures a reliable separation of interferences from the analyte ions. The interferences PO, POH and GaGa could potentially lead to falsely high Ti, Ba and Ce results. The formation of these interferences is low in the fast-flow source of the Element GD PLUS GD-MS: 69Ga69Ga/69Ga ≈ 1 ppm and ( 31P16O1 H + 31P17O)/31P ≈ 10 ppm. They can easily be resolved at Medium Mass Resolution (R = M / Δm = 4000). This is visualized in the mass scans shown in Figures 1 and 2 with much wider mass windows than later being used for quantification. Therefore, the Medium Mass Resolution of the Element GD PLUS GD-MS enables interference free measurements of Ti, Ba and Ce in GaP matrix.<h4>Conclusions&nbsp;</h4>Trace contaminations in 7N high purity gallium phosphide can be determined reliably and routinely with the Element GD PLUS GD-MS without prior digestion.&nbsp;While most analytes like Ti, Ba and La are resolved from interferences in medium mass resolution (R = 4000), high mass resolution (R = 10000) is required for Ag because of the GaAr interference. Sub-ppb detection limits, even for elements like Sb and Ge, are achieved by neglectable formation of triatomic interferences and reduced abundance sensitivity. That is enabled by the fast-flow source design and the reverse Nier-Johnson geometry.Semiquantitative quantification of element concentrations can be performed without standard reference materials using the standard RSF factor approach. The high sensitivity of the instrument, the reliable separation of interferences in medium and high mass resolution, the outstanding peak stability, the low formation of interferences and the low abundance sensitivity enable limits of detection of 0.05 to 1 ppb for most elements.&nbsp;The sum of all impurities in the GaP sample was below 50 ppb, implying that a purity of 7N GaP can be assessed with the instrument.

News from LabRulezGCMS Library - Week 39, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 12th January 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Shimadzu and brochure by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Volatile PFAS in Cosmetics Using PAL3 Coupled with Triple Quadrupole GC/MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pfas_cosmetics_pal3_gc_tq_5994_8752en_agilent_52b56afd36.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are a large family of synthetic organic chemicals containing carbon chains where most or all the hydrogen atoms are replaced by fluorine. Due to the strength and stability of the carbon‑fluorine bond, PFAS tend to be very stable and chemically inert, which makes them both very useful in various applications and resistant to degradation. This persistence causes environmental contamination and bioaccumulation in humans and wildlife; as a result, PFAS are often labeled "forever chemicals".1&nbsp;In cosmetics, PFAS are valued for their functional properties, including emulsification, stabilization, and water or sweat resistance. Despite these benefits, concerns have grown over their safety due to direct exposure from repeated use through skin, eyes, and mouth. The OECD's 2024 report underscores the risks associated with PFAS in cosmetic formulations, particularly given their potential for long-term health and environmental impacts.2,3 Regulators around the world are taking decisive steps to ban or restrict PFAS in cosmetics. For example, in the EU, various types of PFAS have been regulated under REACH and POPs regulations that span most industries, including cosmetics.4,5 EU Cosmetics Regulation (EC) No. 1223/2009 has listed the five types of PFAS as the substances prohibited.6 A broader EU-wide ban is underway, with France having passed its own ban on PFAS in cosmetics effective 1 January 2026, as part of a larger proposal to ban PFAS in consumer products.7,8 The US has not banned the use of PFAS in cosmetics at the federal level yet. The USFDA has been evaluating the use of PFAS in cosmetics under the authority of the Cosmetic Regulatory Modernization Act (MoCRA), and is expected to release a report on safety and risk by the end of 2025.9 Although the federal government is still on the sidelines, many states in the US have been rapidly enacting or implementing the ban and reporting requirements for PFAS in cosmetics, with effective dates ranging from 2025 to 2032.10-13 Canada has proposed a ban on the use of PFAS in various consumer products, including cosmetics.14 South Korea has added 12 PFAS into a restricted substances list for cosmetic products in 2024.15 The Environmental Protection Authority (EPA) of New Zealand has officially announced a ban on the use of PFAS in cosmetic products, effective from 31 December 2026.16&nbsp;As regulations surrounding PFAS continue to evolve, developing a sensitive and robust analytical method is crucial to meet stringent guidelines. The objective of this study was to demonstrate a fully automated workflow using PAL3&nbsp;Series&nbsp;2 RTC autosampler coupled with an Agilent 7010D triple quadrupole GC/MS to quantify more than 30&nbsp;volatile PFAS analytes in cosmetics. The automation method performance includes sensitivity, accuracy, and precision studies.<h4>Experimental</h4><h5>Instrumentation&nbsp;</h5>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">Agilent 8890 GC </a>with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010D">7010D GC/TQ</a> equipped with HES 2.0 ion source, coupled with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3">PAL3</a> Series 2 RTC autosampler, was used for this analysis. An MMI inlet and splitless liner (part number 5190-2293) were used and chromatographic separation was performed using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=J%26W+DB-624">Agilent J&amp;W DB-624</a>, 30 m × 0.25 mm, 1.40 μm column (part number 122-1334UI). The instrument setup is shown in Figure 1. The acquisition method for 34 native PFAS and four ISTDs, including GC condition, TQ parameters were described in a previous application note.17<h4>Sample analysis&nbsp;</h4>Seven cosmetic samples from various brands—including foundations, lipsticks, and mascaras—were analyzed. One liquid foundation was designated as a quality control (QC) sample, while the remaining six were treated as unknowns. According to the OECD report published in 2024, cosmetic products such as shampoo, eye makeup, foundation, facial cleansers, lipsticks, and lip glosses may contain PFAS, which serve functional or performance-enhancing roles.2,19 In this study, several PFAS compounds were detected above the method detection limit (MDL) in the unknown samples, including 10:2 FTOH, MeFHxSA, MeFOSE, EtOSE and 1H,1H‑perfluorooctyl acrylate. The results also demonstrated that the automated workflow is effective for PFAS extraction and quantitation in cosmetic matrices.<h4>Conclusion&nbsp;</h4>An accurate and robust automated workflow was successfully developed using the PAL3 Series 2 RTC autosampler coupled with the Agilent 7010D GC/TQ system for the analysis of volatile PFAS in cosmetic products. Most PFAS targets achieved an LOQ of 50 µg/kg and MDL below 1.5 µg/kg, with recoveries falling within the acceptable range of 60% to 110%. These results demonstrate excellent extraction efficiency and reliability of the automated workflow. Furthermore, automation significantly reduces human error and enhances productivity, while maintaining high sensitivity in PFAS analysis.<h3>2. Shimadzu: Simplifying Multicomponent Quantitative Analysis of Organic Compounds with the Polyarc Microreactor for GC</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00945_en_9f7adeedc4.pdf">Full PDF for download</a></li></ul><h4>User Benefits&nbsp;</h4><ul><li>The Polyarc system converts organic compounds eluting from the column into methane, enabling sensitivity to be normalized to carbon concentrations.&nbsp;</li><li>Even for compounds containing heteroatoms or unsaturated bonds, which tend to show lower sensitivity with FID, the Polyarc reduces response differences.&nbsp;</li><li>Because the response is normalized, fewer calibration curves are required even for multicomponent sample analysis.</li></ul>The Flame Ionization Detector (FID), the most widely used detector for GC, is used for quantitative analysis across a wide range of fields because it can detect almost all organic compounds. However, FID can exhibit sensitivity differences depending on the compound type, such as compounds containing heteroatoms (e.g., oxygen or nitrogen) or those with unsaturated bonds (for details, refer to Application News No.01-01033-EN). As a result, conventional quantitative methods using calibration curves— including external standard methods— typically require a separate calibration curve for each target analyte. This application introduces a case study analyzing a mixed solution of eleven compounds with different functional groups using the Polyarc, a GC microreactor. While compounds exhibit varying sensitivity with FID detection, the Polyarc system reduces sensitivity differences between compounds and facilitates quantitative analysis through simplified calibration curve creation.<h4>Overview of the Polyarc</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=Polyarc">Polyarc</a> is a post-column microreactor installed between the column and the FID. The main unit is mounted on the GC’s top panel. A schematic isshown in Fig. 1. Organic compounds introduced into the Polyarc via the column are fully converted to methane in two steps—oxidation followed by reduction (Fig. 2)—and are ultimately detected by FID. Because the FID detects methane, sensitivity is determined by the number of carbons, regardless of the original organic compound’s functional groups. For example, 1 mol of 1- propanol (C3H8O) is detected as 3 mol of methane.<h4>Analytical Conditions&nbsp;</h4>In this application, the sample was prepared by dissolving nheptane, cyclohexane, toluene, o-xylene, methyl ethyl ketone (MEK), tetrahydrofuran (THF), N,N-dimethylformamide (DMF), butyl acetate, propylene glycol monomethyl ether acetate (PMA), pyridine, and 1,2-dichloroethane in methanol so that each compound was 500 ppm (v/v%). Analytical conditions are shown in Table 1. The instrument used was a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030">Nexis GC-2030</a> equipped with the Polyarc Ultra was used.(Fig. 3) Polyarc can be installed on both the Nexis GC-2030 and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a>. Additionally, in this application, N2 was used as the carrier gas for affordability and safety, enabling cost-effective analysis.<h4>Conclusion&nbsp;</h4>Analyzing multicomponent samples with a Polyarc confirmed that sensitivity differences due to functional groups can be reduced. Compounds containing heteroatoms or unsaturated bonds can be analyzed with relative response comparable to hydrocarbons when a Polyarc is used. Peak area reproducibility was excellent, with %RSD &lt; 1. Additionally, it was confirmed that analyzing at least one compound of known concentration enables quantitation of compounds with unknown concentration—i.e., calibration curve preparation can be omitted.Table 5 summarizes the benefits of using a Polyarc system. The Polyarc simplifies multicomponent quantitative analysis and enables high-sensitivity analysis of compounds that are poorly detected by FID. Note that for certain compounds, adsorption in the inlet or similar effects may prevent achieving a relative response equivalent to that of saturated hydrocarbons.<h3>3. Thermo Fisher Scientific: Targeted MS quantitation - Controlled and accessed from anywhere (Thermo Scientific™ Chromeleon™ 7.4 software)</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/BR_70660_CDS_Chromeleon_BR_70660_EN_a0bf1ab440.pdf">Full PDF for download</a></li></ul><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ 7.4 software</a> is presented as a centralized, server-based data system designed to consolidate mass spectrometry laboratories by connecting instruments, users, and data within a single, scalable platform. It enables secure access to data and instruments from anywhere, while centrally managing methods, templates, and reports to streamline daily laboratory operations.The software is fully optimized for targeted MS quantitation workflows, offering native control of Thermo Scientific single and triple quadrupole as well as high-resolution accurate mass (HRAM) MS instruments. Advanced data processing tools support targeted quantitation, screening, intact mass deconvolution, MSⁿ library searching, and customizable reporting, making Chromeleon suitable for biopharma, environmental, and food safety applications.A strong emphasis is placed on compliance and data integrity. Chromeleon 7.4 supports GxP, ISO, and 21 CFR Part 11 requirements through granular user controls, audit trails, electronic signatures, and versioned results. Built-in network failure protection, centralized databases, and secure remote access ensure high availability, resilience, and scalability from small on-premise installations to multi-site or cloud deployments.The brochure also highlights Chromeleon’s role in advanced bioanalysis and environmental workflows, including intact protein characterization, multi-attribute methods (HR-MAM), PFAS analysis, pesticides, dioxins, and PCBs. Integration with complementary Thermo Scientific software further enables end-to-end workflows from compliant data acquisition to targeted processing, reporting, and long-term data management.

News from LabRulezGCMS Library - Week 03, 2026

News from LabRulezGCMS Library - Week 09, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 30th March 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Thermo Fisher Scientific, brochure by Shimadzu and presentation by MDCW / LECO!<h3>1. Agilent Technologies: Extraction and Analysis of Pesticides from Water by Solid Phase Extraction and GC/MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_extraction_analysis_pesticides_water_gcms_5994_8996en_agilent_28fc35d0e7.pdf">Full PDF for download</a></li></ul>Drinking water is defined as water intended for human consumption obtained from different sources. Several guidelines/regulations exist for ensuring that undesirable substances such as pesticides are not present in excessive amounts that may be harmful to human health. These regulations ensure that water intended for human consumption can be consumed safely. In India, the Bureau of Indian Standards (BIS) has set regulatory limits for residual pesticides in drinking water (IS 10500)1 , packaged drinking water (IS 14543)2 , and natural mineral water (IS 13428).3 A total of 26 pesticides are regulated by BIS standards, of which four compounds (monocrotophos, phorate, 2,4-D, and isoproturon) are more suitable for analysis by liquid chromatography.&nbsp;EPA Method 525.2 is a general-purpose method for determination of organic compounds in finished drinking water or water from any source or treatment stage.4 This method is applicable to a range of organic compounds that are partitioned from the water sample onto a C18 organic phase packed in a disk or cartridge. The organic compounds are then eluted using a suitable eluent, concentrated, and analyzed by GC/MS.&nbsp;This application note describes the use of EPA Method 525.2 for extraction of pesticide residues at trace levels in water using solid-phase extraction (Agilent Bond Elut C18: Straight barrel cartridges, p/n 12102118) and analysis using Agilent 8890-5977 GC/MS.&nbsp;Excellent linearity with R2 &gt; 0.995 was obtained for all pesticides considered for the study. Recoveries were obtained in the range of 80–120% with associated RSDs &lt; 15% at 0.005–0.080 ng/mL level of fortification.<h4>Experimental</h4><h5>Instrument parameters</h5><ul><li>GC: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890">Agilent 8890</a></li><li>Column: Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+HP-5ms">J&amp;W HP-5ms</a> UI 30 m × 0.25 mm, 0.25 μm&nbsp;</li><li>Carrier Gas: Helium, constant flow, 1.2 mL/min&nbsp;</li><li>Inlet: Agilent Multimode Inlet (MMI)</li><li>MS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977">5977 GC/MS</a></li></ul><h4>Conclusion&nbsp;</h4>A simple, easy, and efficient method based on EPA 525.2 was implemented for the determination of 22 pesticides in water. The method demonstrated good sensitivity, precision, and accuracy, and allows for rapid analysis. The results demonstrate that pesticide residues can be detected below the current maximum residue levels (MRL) required by the BIS specifications. Acceptable recoveries and precision were obtained at concentrations as low as 5 ng/L for all pesticides. The method is ideally suited for use in a regulatory laboratory for the determination of pesticides in surface, drinking, and packaged drinking water.<h3>2. MDCW / LECO: Exploring PFAS in Consumer Goods Using GCxGC and High-Resolution Mass Spectrometry</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_3_Alonso_6f61e3ea43.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are widely used in consumer and industrial products due to their unique physicochemical properties, but their persistence and potential health risks have made their detection increasingly important. This study focuses on developing an untargeted analytical approach for screening PFAS and related compounds in consumer goods using advanced chromatographic and mass spectrometric techniques.The analytical workflow combines gas chromatography with time-of-flight mass spectrometry (GC-TOFMS) and comprehensive two-dimensional gas chromatography coupled with high-resolution TOFMS (GC×GC-HRTOFMS), using systems such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097">LECO Pegasus® BTX </a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/38">Pegasus® HRT+</a> platforms. Sample introduction is performed via thermal desorption or pyrolysis, enabling analysis of both volatile and complex matrices. High-resolution MS provides accurate mass measurements and elemental composition, which are essential for identifying unknown compounds and reducing matrix interferences.In the first case study, anti-fog solutions were analyzed and found to contain a wide range of compounds, including fluorotelomer alcohols and related PFAS species. While GC-TOFMS enabled initial screening, high-resolution TOFMS was necessary to characterize unknown compounds through accurate mass determination and complementary ionization techniques (EI and PCI). This approach allowed tentative structural assignment using external databases, demonstrating the importance of HRMS in identifying compounds not present in standard libraries.The second case study focused on chewing gum, a highly complex matrix with diverse chemical constituents and trace-level analytes. The use of GC×GC-HRTOFMS significantly improved chromatographic separation and spectral clarity, enabling detailed profiling of volatile and semi-volatile compounds. A dedicated PFAS screening workflow based on mass defect analysis and spectral filtering was applied, leveraging the characteristic CF₂ patterns of PFAS molecules to simplify data interpretation.Despite the complexity of the sample, no PFAS were detected in the chewing gum, its packaging, or the box. Overall, the study demonstrates that combining GC×GC separation, high-resolution mass spectrometry, and advanced data processing tools provides a powerful and reliable strategy for untargeted PFAS screening in complex consumer products, particularly when unknown or emerging contaminants are of concern.<h3>3. Shimadzu: Gas Chromatograph Nexis GC-2060</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c184_e056_06c3456516.pdf">Full PDF for download</a></li></ul>The Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2060">Nexis GC-2060</a> represents a new generation of gas chromatographs, built on over 70 years of GC development and designed to serve as a flexible and future-proof analytical platform. It integrates the concept of Analytical Intelligence, which enables automated system monitoring, troubleshooting, and optimization, helping both experienced and less experienced users achieve reliable and consistent results. The system is highly configurable, supporting up to two injectors, three injection units, and four detectors simultaneously, allowing a single instrument to cover multiple analytical applications.A key advantage of the Nexis GC-2060 is its versatility in sample introduction and detection. The Multi-Mode Injection Unit (MMI) supports a wide range of injection techniques, including split/splitless, PTV, direct injection, large-volume injection (LVI), and thermal desorption, significantly reducing the need for complex sample preparation. The system is also equipped with next-generation detectors such as FID and TCD, offering high sensitivity, stability, and linearity, with additional detector options (ECD, FPD, FTD, BID) enabling broad application coverage.The instrument is designed to maximize laboratory efficiency and minimize downtime. Features such as tool-free column installation (ClickTek), automated startup/shutdown, Easy sTop maintenance mode, and Clean Pilot for automated column conditioning simplify routine operation and reduce manual intervention. In addition, Eco Idling technology automatically optimizes gas and power consumption during standby, significantly lowering operational costs while maintaining readiness for analysis.From an analytical performance perspective, the Nexis GC-2060 delivers excellent reproducibility and sensitivity, supported by advanced autosamplers (e.g., AOC-30) and compatibility with third-party systems. The platform supports hydrogen carrier gas for faster analysis and includes smart gas management features such as automatic gas switching. Its modular design allows seamless integration with various sample preparation systems, autosamplers, and detectors, ensuring adaptability to evolving laboratory needs.Overall, the Nexis GC-2060 combines high performance, operational efficiency, and flexibility in a single platform, making it suitable for a wide range of applications, including pharmaceutical analysis, environmental testing, food analysis, and energy-related measurements. Its scalability and continuous software updates ensure long-term usability and alignment with future analytical requirements.<h3>4. Thermo Fisher Scientific: Accurate multi-component blast furnace gas analysis maximizes iron production and minimizes coke consumption</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/epm_AN_Iron_Production_Prima_PRO_bd5de98b44.pdf">Full PDF for download</a></li></ul>Over a billion tonnes of iron a year are produced in blast furnaces, representing around 94% of global iron production¹. The blast furnace consists of a large steel stack, lined with refractory brick. Iron ore, coke and limestone are dropped into the top of the furnace and preheated air blown into the bottom through nozzles called ‘Tuyeres’. Iron oxides are reduced in the melting zone, or ‘Bosh’, forming liquid iron (called ‘hot metal’) and liquid slag. These liquid products are drained from the furnace at regular intervals, and the blast furnace will run continuously for several years, until the refractory lining needs replacing.Analysis of carbon monoxide (CO) and carbon dioxide (CO₂) give vital information on the efficiency of the reduction processes. Historically, two non-dispersive infrared (NDIR) analyzers were used, one to measure CO, the other CO₂. Additional discrete analyzers were required to monitor oxygen and hydrogen – typically paramagnetic O₂ analyzers and thermal conductivity analyzers for H₂.&nbsp;Thermo Scientific™ process mass spectrometers have been widely used for many years for key gas analysis applications in iron and steel plants, including blast furnace, basic oxygen steelmaking, coke oven gas analysis, secondary steel process control, fuel gas analysis and direct reduction iron processes²<h4>Process control requirements&nbsp;</h4>The advantages of process MS over conventional analysis techniques have been proven over many years in the iron and steel industry. The ability to measure a wide range of components on a single analyzer, coupled with advanced calibration, data transmission, and self-diagnostic software, makes the modern mass spectrometer ideal for integration into the modern plant. On blast furnaces, superior gas analysis is being used to calculate gas efficiency, mass and heat balances, and heat profiles through probe analysis, as well as being an essential tool in the early detection of cooling water leaks and sample system failures.&nbsp;Figure 2 shows 64 hours of data from a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2305">Thermo Scientific™ Prima™ PRO Process MS</a> monitoring the six gases in a blast furnace top gas every 10 seconds. The pulse every 12 hours is generated by an automatic nitrogen blowback from the sample conditioning system, to keep the sample probe clear of particulates.<h4>Hydrogen analysis&nbsp;</h4>An increase in the hydrogen level in the furnace can indicate a leak from the furnace cooling system, as water dissociates into hydrogen and oxygen in the furnace. This has implications both for plant efficiency and plant safety. Water leaks will lower the furnace temperature, causing heat loss and a consequent increase in fuel consumption. In extreme cases, damage to plant and personnel can be caused by ignition of these hazardous mixtures of explosive gases.&nbsp;Figure 4 shows a plot of top gas hydrogen concentration measured by Thermo Scientific process MS over a 24-hour period, with the departure of the measured H2 value from that predicted by the mass balance model indicating a water leak. This leak was caused by the failure of a cooling member, and the furnace was taken off blast for repair. The mass spectrometer’s ability to provide fast, accurate hydrogen analysis removes the need for an additional discrete analyzer.&nbsp;Gas composition measurement is particularly important during the end-of-campaign blowdown that takes place prior to rebuilds and relines, because explosive gas mixtures can be generated.&nbsp;<h4>Probe analysis&nbsp;</h4>The fast analysis provided by MS offers another significant advantage over discrete analyzers—a number of process streams can be analyzed using a single instrument. This is achieved using a fully automated multi-inlet system, designed to switch between sample streams at high speeds with minimal sample flushing times. For example, as well as furnace top gas, the MS can also analyze gases from probes placed above and below the burden (the furnace charge of iron ore, coke and limestone). These are known as above-burden and sub-burden probes and provide valuable information on fuel efficiency, iron conversion and furnace charging. Figure 5 shows a schematic of these two probes; they can be moved across the furnace to build a cross-sectional profile of the furnace.<h4>Summary&nbsp;</h4>Thermo Scientific process mass spectrometers have been successfully monitoring blast furnace off gas at many of the world’s iron and steel companies for over 30 years. For a blast furnace producing 5,000 tonnes a day, a reduction in coke consumption of just 10 kg per tonne of iron produced provides a payback of over $10,000 a day. Users report that the combination of fast, accurate MS gas analysis for gas efficiency, heat and mass balances and hydrogen analysis, with advanced process control and mathematical modeling, has reduced coke consumption by up to 100 kg per tonne and increased iron production. Upgrading to Prima PRO MS can therefore result in complete installation payback within a few weeks.&nbsp;<ul><li>Reduces coke consumption&nbsp;</li><li>Produces consistent quality iron&nbsp;</li><li>Reduces downstream processing costs&nbsp;</li><li>Detects water leaks fast&nbsp;</li><li>Improves thermal control of furnace&nbsp;</li><li>Enables safer operation during blowdown</li></ul>

News from LabRulezGCMS Library - Week 14, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 13th April 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, BaySpec, and Shimadzu and presentation by MDCW / SepSolve!<h3>1. Agilent Technologies: Sensitive and Reproducible Determination of Nitrosamines by GC/MSD</h3>Analysis of seven nitrosamines using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977+GC%2FMSD">Agilent 5977 GC/MSD</a> in positive chemical ionization mode with ammonia<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nitrosamines_5977_gc_ms_5994_9063en_agilent_acf455cd8e.pdf">Full PDF for download</a></li></ul>Nitrosamines are a well known class of carcinogenic compounds that have been the subject of extensive scientific investigation and regulatory assessment for several decades.1 In recent years, various regulatory authorities have established drinking water guidelines for N-nitrosodimethylamine (NDMA), a disinfection byproduct of water treatment processes.&nbsp;In 2004, the US Environmental Protection Agency (EPA) published Method 521, a GC/MS-based method for the analysis of seven nitrosamines including NDMA in drinking water, supporting monitoring and regulatory programs.2 In 2010, Health Canada proposed a maximum acceptable concentration for NDMA in drinking water of 40&nbsp;ng/L.3 In the European Union (EU), several EU member states have introduced their own national limits for nitrosamines in drinking water. In Germany, for example, a concentration of 10&nbsp;ng/L will trigger the initiation of remedial actions to reduce the concentration of NDMA.4&nbsp;This application note demonstrates the ability of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977+GC%2FMSD">Agilent&nbsp;5977 Series GC/MSD</a> to enable linear and reproducible detection of the seven nitrosamines included in EPA Method&nbsp;521 using positive chemical ionization (PCI) with&nbsp;ammonia.&nbsp;Chemical ionization (CI) is a soft ionization technique used in mass spectrometry that enhances molecular ion visibility through controlled ion–molecule reactions. In CI, a reagent gas is ionized first, and the resulting reagent ions subsequently transfer charge to the analyte, producing significantly less fragmentation than conventional electron ionization (EI).&nbsp;PCI further improves sensitivity by generating predominantly protonated molecular ions [M +H]+ , concentrating the ion signal into a high-abundance species and delivering a stronger response and improved signal-to-noise ratios for trace-level compounds. Ammonia is an especially effective reagent gas for PCI due to its clean and efficient proton‑transfer chemistry, low background spectral contribution, and ability to produce stable, high-intensity molecular ions.&nbsp;These characteristics make ammonia PCI a highly suitable ionization mode for the sensitive and selective analysis of small polar contaminants such as nitrosamines, where low‑level detection and confident molecular ion identification are critical.<h4>Conclusion&nbsp;</h4>The study has shown that the Agilent 5977 GC/MSD, operated in PCI mode with ammonia, delivers the sensitivity, accuracy, and reproducibility needed for trace-level nitrosamine&nbsp;analysis. The method demonstrated excellent linearity, with regression coefficients (R²) of 0.9989 or better across the 0.1 to 20.0&nbsp;ppb range for six nitrosamines, and 0.9987 across the 0.5 to 20.0&nbsp;ppb range for NPYR. Analytical repeatability was robust, with %RSD values &lt; 4.8% at the lowest calibration level, indicating a stable and consistent instrument response. Instrument Detection Limits ranged from 0.0063 to 0.0655&nbsp;ppb, demonstrating the system's ability to reliably distinguish analyte signals from instrumental noise. Overall, these results confirm the suitability of the 5977 GC/MSD as a sensitive and dependable platform for nitrosamine analysis in applications that require stringent trace‑level detection<h3>2. BaySpec: Peptide sequencing using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218">Continuity miniature mass spectrometer</a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_Peptide_Sequencing_002_af7ca2496c.pdf">Full PDF for download</a></li></ul>Peptide identification and sequencing strategies by mass spectrometry have been very well-developed during the last 25 years after the soft ionization techniques have been introduced. When sequencing peptides with tandem mass spectrometry (MSn), peptides are cleaved at various locations off their backbones to generate fragment ions of different masses based on their amino acid sequences. The most common product ions are the b-, y-, and a-ions generated from the cleavage of amide bond (CO-NH) and the subsequent loss of CO from the b-ions to form a-ions. The resulting MSn spectra can be matched with a database or computed with an algorithm to get the original sequence of known or unknown peptides.&nbsp;Here we present an example of peptide sequencing with BaySpec’s highly-portable (22 kg) and battery operated Continuity -series portable mass spectrometer. It features a linear ion trap with collisionally induced dissociation (CID) for MSn analysis, similar to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219">Portability series mass spectrometers</a>. In addition, Continuity is equipped with a continuous atmospheric pressure sampling inlet with differential pumping, allowing the detection of a larger mass range (110 – 950 amu). BaySpec’s Continuity mass spectrometer is ideal for on-site peptide sequencing. In this application note, we show an example of peptide sequencing in a standard mixture (H2016, SigmaAldrich) with Continuity mass spectrometer. The mixture was dissolved in HPLC grade water, and then further diluted with an electrospray solution (50:50 methanol:water with 0.5% acetic acid). The diluted solution is directly infused into the API inlet of the Continuity mass spectrometer without any further treatment or separation.<h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218">ContinuityTM Mass Spectrometer&nbsp;</a></h4>The Continuity mass spectrometer is one of BaySpec’s newest portable instruments. Continuity features a continuous sampling atmospheric pressure inlet, wide mass range and high sensitivity. Designed to bring the benefits of powerful mass to the field, the Continuity can service a variety of bulk or trace detection applications, as well as scientific studies.<h3>3. MDCW / SepSolve: Sniff smarter: Empowering GC–O with trap-based enrichment and GC×GC for advanced aroma profiling</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_5_Mikaliunaite_29610bc29d.pdf">Full PDF for download</a></li></ul>The presentation focuses on improving the correlation between chemical analysis and human sensory perception in complex samples such as food matrices. Traditional gas chromatography–olfactometry (GC–O) workflows face two major limitations: the presence of trace-level odorants with extremely low odour detection thresholds and the frequent co-elution of compounds, which makes it difficult to assign specific sensory attributes to individual analytes. As highlighted in the early slides, these challenges often result in discrepancies between what instruments detect and what the human nose perceives .To address these issues, the study introduces trap-based enrichment as a key enhancement step. This approach enables pre-concentration and focusing of volatile organic compounds (VOCs) prior to GC analysis, while selectively removing interferents such as water and air. The use of electrically cooled traps allows efficient analyte retention and rapid thermal desorption, improving sensitivity without the need for cryogens. Importantly, this enrichment strategy enhances the detectability of trace odorants, enabling better alignment between instrumental signals and sensory perception.A second major advancement presented is the integration of comprehensive two-dimensional gas chromatography (GC×GC) coupled with TOF-MS and olfactory detection (GC×GC–O–TOF MS). Compared to conventional one-dimensional GC, GC×GC significantly increases separation capacity, effectively resolving co-eluting compounds. This enables more confident identification of odor-active compounds and clearer mapping between chromatographic peaks and recorded aroma descriptors. The workflow also incorporates an odour detection port (ODP), allowing simultaneous acquisition of chromatographic and sensory data, thereby bridging the gap between analytical chemistry and human olfaction.The methodology is demonstrated using real-world applications, including citrus rind and orange juice analysis, where complex aroma profiles are investigated. The results show that GC×GC combined with enrichment and advanced data processing (e.g., Smart Subtract®) enables detailed comparison of sample variants (e.g., juice with vs. without pulp) and identification of subtle compositional differences. Overall, the study highlights that combining trap-based enrichment, GC×GC separation, and integrated sensory detection provides a powerful platform for comprehensive aroma profiling, improving both sensitivity and interpretability in flavour and fragrance analysis<h3>4. Shimadzu: Dual-line Gas Analysis Using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060">Nexis GC-2060</a> Gas Chromatograph with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30+Auto+Gas+Injector">GI-30 Auto Gas Injector</a> and BID and TCD Detectors</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01171_en_5a83027622.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>The Nexis GC-2060 can be equipped with two GI-30 units, enabling automated gas analysis for two sample lines on a single GC.&nbsp;</li><li>The combination of TCD and BID detectors enables analysis of a wide range of sample concentrations.&nbsp;</li><li>Using the GI-30 auto gas injector enables automated gas-sample introduction with high repeatability</li></ul>Gas analysis is performed across a wide range of fields, including resource and energy applications and environmental applications. Typical target analytes include inorganic gases such as H2, N2, CO, and CO2, as well as light hydrocarbon gases such as CH4. Because concentration ranges and matrices vary depending on the sample, detection sensitivity and separation performance must be optimized to meet the measurement objective.&nbsp;Both BID and TCD detectors can detect all compounds except carrier gases (BID cannot detect Ne). The BID is a Shimadzudeveloped detector that enables highly sensitive analysis of lowlevel components at the ppm level and simultaneous analysis of multiple compounds, including H2. In contrast, the TCD provides stable analysis even at high concentrations on the order of percent, and it also has a short time from startup to analysis readiness. Using both detectors together allows a single GC system to cover a wide concentration range from low to high.&nbsp;This article describes dual-line gas analysis using a Nexis GC-2060 equipped with both a BID and a TCD, combined with automated sample introduction using the GI-30 auto gas injector. By combining a BID and a TCD,samples across a broad concentration range can be measured. In addition, automated introduction of gas samples using the GI-30 improves repeatability in continuous analysis and enhances operational efficiency.<h4>Dual-LineGas Analysis Using the GI-30</h4>The GI-30 is an auto gas injector that enables automated, continuous analysis of gas samples (Fig. 1 (right) shows a schematic diagram of the GI-30). With its highly expandable design, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060">Nexis GC-2060 </a>can be equipped with two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30+Auto+Gas+Injector">GI-30</a> units (Fig. 1 (left)). This enables high-throughput automated gas analysis of two sample lines on a single GC. In addition, because the injection unit, column, detector, and carrier gas can be configured independently for each line, the system can accommodate gas samples with diverse compositions and concentrations. In this application, Line 1 was configured with an SPI/BID to provide highly sensitive detection of low-level components. The SPI is a split/splitless injection unit dedicated to gas analysis. Its high airtightness and inert deactivation of the flow path help suppress ambient air intrusion and analyte adsorption, making it effective for analyzing trace atmospheric components (e.g., N2 and O2) and components that tend to adsorb. In contrast, Line 2 was configured with an SPL/TCD. Using an SPL injection unit also allows liquid sample analysis and manual injection with a gas-tight syringe.<h4>Conclusion</h4>Low- and high-concentration gas samples were analyzed simultaneously on two lines using a Nexis GC-2060 equipped with two GI-30 units and a BID/TCD. By adopting a dual-line configuration with dual GI-30 units and selecting the injection unit, column, detector, and carrier gas according to the measurement objective, it is possible to expand the range of sample concentrations and compositions that can be measured. In addition, automated, continuous gas analysis using the GI-30 reduces the analyst’s workload and enables highly repeatable analysis that is difficultto achieve with manual introduction.

News from LabRulezGCMS Library - Week 16, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 20th April 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu, brochure by BaySpec and presentation by MDCW / William &amp; Mary!<h3>1. Agilent Technologies: Analysis of Aromatic Amines in Textile Samples</h3>Using hydrogen carrier gas and an Agilent 8890 gas chromatography system coupled with an Agilent 5977C GC/MSD with an Agilent HydroInert source<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_amines_textile_gcms_5994_8997en_agilent_1a9ca88e41.pdf">Full PDF for download</a></li></ul>Azo dyes, characterized by the azo group (–N=N–), represent the largest class of synthetic organic colorants, accounting for approximately 70% of the global dye market with over 3,000 variants in use.1 Their widespread application in textiles, leather, plastics, cosmetics, food, and pharmaceuticals is attributed to their low cost, colorfastness, and structural versatility. Global textile dye production exceeded 1 million tons in 2020.1 Despite their industrial significance, azo dyes pose serious environmental and health concerns.1,2 Up to 15% of these dyes are discharged into wastewater or solid waste streams, and as much as 40% may be lost during textile processing. Resistant to degradation, they persist in ecosystems and can release harmful aromatic amines under certain conditions.1 Numerous GC/MS-based analytical methods are available for the estimation of amine compounds. These methods use helium as the carrier gas. For a sustainable analytical solution, there is a need for an alternative carrier gas to overcome the challenges occurring due to helium scarcity.&nbsp;The method adopted for this application note demonstrates the use of hydrogen as a carrier gas in the Agilent 8890 gas chromatography system coupled with the Agilent 5977C GC/MSD using a HydroInert source for the quantification of aromatic amines residues in textile&nbsp;samples.&nbsp;<h4>Experimental</h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 Gas Chromatography System</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C">Agilent 5977C GC/MSD</a></li></ul><h4>Conclusion&nbsp;</h4>This application note presents key strategies for the analysis of amines using GC/MS with hydrogen as the carrier gas, while maintaining sensitivity to meet the maximum residue limits (MRLs) as mentioned in part 1 of ISO:14362. The method includes an Agilent J&amp;W DB-35ms column (20 m × 0.18 mm, 0.18 µm) and a hydrogen‑compatible electron ionization source, the Agilent HydroInert source. The optimized setup with hydrogen showed good chromatographic resolution. The HydroInert source was shown to provide good sensitivity. The method presented here allowed for the quantitation of 24&nbsp;target amines analytes at concentrations ranging from 0.25 to 20 µg/mL in an aqueous standard. Good repeatability was found with %RSD values below 5 for 22 of the 24&nbsp;compounds. Real world textile samples were also analyzed using the same method and three target compounds—aniline, o-toluidine, and benzidine—were observed as present in those samples.<h3>2. BaySpec: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2221">Ion-K9</a> The World’s First Portable, Non-Contact Trace Vapor Detector</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AFT_u_MS_flyer_final_e882bcb462.pdf">Full PDF for download</a></li></ul>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2221">Ion-K9</a> represents a breakthrough in trace detection technology as the world’s first portable, non-contact vapor detector. Designed for rapid and reliable field deployment, this system enables real-time identification of trace-level threats without the need for direct sample contact. By utilizing advanced vapor sampling and mass spectrometry, it provides a safe and efficient solution for detecting hazardous substances in security, forensic, and environmental applications .At the core of the Ion-K9 is a miniature linear ion trap mass analyzer combined with a non-radioactive ionization source, allowing detection of a wide range of explosives and narcotics. The system achieves ultra-high sensitivity down to parts-per-trillion levels (pptv), ensuring reliable identification of compounds such as TNT, RDX, fentanyl, and methamphetamine. Its ability to operate in both positive and negative ion modes further enhances detection flexibility across diverse chemical classes .The instrument is engineered for operational reliability in real-world environments, offering a low false alarm rate below 0.001% while maintaining detection rates above 99.999%. An integrated Intel® Core™ i7 system with a touchscreen interface provides intuitive operation and immediate visual feedback, enabling users to quickly assess whether a threat is present and access detailed analytical data when needed .With its compact, portable design and capability for battery operation, the Ion-K9 is well suited for deployment in airports, border control, law enforcement, and emergency response scenarios. By combining high sensitivity, rapid analysis, and non-contact sampling, it delivers a powerful tool for modern security and analytical workflows, ensuring both efficiency and operator safety in demanding environments.<h3>3. MDCW / William &amp; Mary: Developing a Combined Approach to Green Gunshot Residue Analysis in the Forensic Laboratory</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_24_Saunders_f2c5bcdb20.pdf">Full PDF for download</a></li></ul><section><div><div><div><div><div><div>The growing adoption of environmentally friendly (“green”) ammunition presents new analytical challenges for forensic laboratories, particularly in the detection of gunshot residue (GSR). Traditional approaches rely heavily on identifying inorganic particles containing heavy metals such as lead, barium, and antimony. However, green ammunition eliminates these markers, producing residues composed of more ubiquitous materials that are significantly harder to detect and interpret. This shift necessitates the development of new analytical strategies capable of identifying both inorganic and organic components of GSR.To address this challenge, a combined analytical approach integrating scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS) and comprehensive two-dimensional gas chromatography (GC×GC) was developed. SEM-EDS enables detailed morphological and elemental characterization of particles, identifying features such as size, shape, and elemental composition. In parallel, GC×GC provides enhanced separation and detection of organic gunshot residue (OGSR), offering significantly improved resolution and peak capacity compared to conventional one-dimensional GC methods.Method development focused on optimizing GC×GC parameters, including inlet temperature, modulation period, and chromatographic conditions, to improve analyte detectability. As illustrated by chromatographic data, optimized conditions led to better separation and increased visibility of key compounds compared to standard methods. The approach was validated using multiple standards, including phthalates, nitroaromatic compounds, nitroglycerin, and gun surveillance mixtures, demonstrating reliable identification of relevant analytes in complex matrices.Overall, this integrated workflow represents a promising strategy for modern GSR analysis, particularly for samples derived from green ammunition. By combining inorganic particle characterization with advanced organic residue analysis, the method enhances analytical confidence and expands the capability of forensic laboratories. Future work will focus on further method refinement, including sorbent-based extraction techniques and the incorporation of retention indices, to strengthen robustness and support admissibility under forensic standards.</div></div></div></div></div></div></section><h3>4. Shimadzu: Simple Aroma Component Analysis Using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060">Nexis GC-2060</a> with a Multi-Mode Inlet (MMI) Detectors</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01165_en_9af6a30e20.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>By installing an MMI in a Nexis GC-2060 system, a wide variety of injection methods can be used .</li><li>By using a MonoTrap silica monolith sorbent to collect aroma components, highly sensitive analysis can be achieved without cumbersome extraction procedures.</li><li>With the MMI thermal desorption/extraction mode, aroma components can be analyzed without dedicated sample-preparation equipment.</li></ul>Given that aroma is an important attribute of foods, gas chromatography (GC) and gas chromatography–mass spectrometry (GC-MS) are often used for qualitative and quantitative analysis of aroma components. Aroma components are typically collected from foods using headspace sampling, solid-phase microextraction (SPME), or liquid extraction methods, but for this article, a MonoTrap silica monolith sorbent was used to collect aroma components from alcoholic beverages. With the MonoTrap, aroma components can be collected and concentrated without cumbersome extraction procedures, enabling highly sensitive analysis.&nbsp;In this case, aroma components were analyzed using a Nexis GC-2060 gas chromatograph system equipped with a MultiMode Inlet (MMI). The MMI is a newly developed inlet that supports a wide range of injection methods. This article describes using the thermal desorption/extraction mode, one of the methods available with the MMI, to desorb the aroma components collected on the MonoTrap sorbent and inject them into the GC unit. That enabled highly sensitive aroma analysis while reducing analysis costs, without using dedicated sample-preparation equipment.<h4>Overview of the Multi-Mode Inlet (MMI)</h4>The Nexis GC-2060 can be equipped with a Multi-Mode Inlet (MMI) (Fig. 1 (right)), a new type of inlet . The MMI is a newly developed inlet that allows many injection methods to be used with a single inlet—not only the commonly used split/splitless injection methods, but also programmed temperature vaporizing (PTV) injection, direct injection, large volume injection, and thermal desorption/extraction methods . It supports a wide range of applications across many fields, including analyzing pesticide residues in foods using largevolume injection and aroma analysis using thermal desorption. Because the MMI enables rapid temperature ramping at rates up to 1200 °C/min, it can suppress peak broadening. In addition, by selecting optional cooling with compressed air or liquid nitrogen, analysis cycle times can be shortened with fast cooling. The GC-2060 also comes standard with the “Easy sTop” function, which allows inlet maintenance to be performed immediately with simple steps, enabling smooth maintenance operations, such as insert replacement, even after cooling.<h4>Conclusion</h4>By analyzing aroma components using the Nexis GC-2060 in combination with a Multi-Mode Inlet (MMI) and a MonoTrap silica monolith sorbent, aroma characteristics of respective alcoholic beverages could be analyzed and evaluated easily without dedicated sample-preparation equipment and without performing cumbersome extraction procedures. Acknowledgements We would like to express our sincere gratitude to President Shiro Yamada and Mr. Dai Takai of Far Yeast Brewing Co., Ltd., and to President Narihiro Suzuki and Mr. Takuma Yamamiya of ISEKADO (Isekadoya Brewery) for their cooperation in conducting these measurements.

News from LabRulezGCMS Library - Week 17, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 27th April 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application note by Shimadzu, scientific article by BaySpec, poster by MDCW / JEOL and technical note by Thermo Fisher Scientific!<h3>1. BaySpec: PNNL and BaySpec Launch Compact Mass Spectrometry System for Rapid Narcotics Detection</h3><ul><li>Scientific article</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PNNL_and_Bay_Spec_Launch_Compact_Mass_Spectrometry_System_for_Rapid_Narcotics_Detection_087ddb9b7e.pdf">Full PDF for download</a></li></ul>The U.S. Department of Energy’s Pacific Northwest National Laboratory’s (PNNL) VaporID, which is a newly developed portable air sampling system incorporating a miniaturized mass spectrometer (MS), can detect trace levels of fentanyl, methamphetamine, cocaine, and even explosives like TNT with great accuracy, the laboratory announced in a press release (1). Because of its success, BaySpec, an optical products manufacturer, is commercializing this instrument, which will be produced later in 2025 (1,2).&nbsp;The new system employs a technique known as noncontact detection, which collects airborne molecules and analyzes them in real time using a miniature mass spectrometer (1). The VaporID device was first developed in 2020. The device won GeekWire’s Innovation of the Year award that same year (2). At the 2025 American Society for Mass Spectrometry (ASMS) conference in Baltimore Maryland, Krisztian Torma, a BaySpec scientist and one of the lead developers, presented the latest test results of the device. The VaporID device was field-tested at the U.S.–Mexico border crossing in Nogales, Arizona. Working with the U.S. Customs and Border Protection (CBP) agency, the device was able to successfully identify trace amounts of fentanyl, as well as other narcotics including MDMA (ecstasy), methamphetamine, ketamine, and cocaine (1).Fentanyl, explosives, and other drugs have low vapor pressure, which means that they do not willingly evaporate and release very few molecules into the air. Given the fact that there are often other interfering chemicals in the air, this presents a detection challenge. The VaporID system overcomes this hurdle by filtering out irrelevant vapors and enhancing signal clarity (1).&nbsp;The success of the VaporID system is the result of a two-year collaboration between PNNL and BaySpec. With plans to commercialize the system by the end of the year, BaySpec aims to bring this advanced narcotics and explosives detection tool into routine use at ports of entry, airports, shipping facilities, and public event venues (1).<h3>2. MDCW / JEOL: ANALYSIS OF AROMA COMPOUNDS IN SPICES BY COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY/TIME-OF-FLIGHT MASS SPECTROMETRY WITH MACHINE LEARNING-BASED STRUCTURE ELUCIDATION AND MOLECULAR FORMULA ESTIMATION</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_9_Kubota_90c993d536.pdf">Full PDF for download</a></li></ul><section><div><div><div><div><div><div>In GCxGC-MS, compound identification is commonly performed by searching the NIST database (DB) using electron ionization (EI) data. However, some compounds are not registered in the NIST DB. In addition, molecular formula estimation from molecular ions obtained by soft ionization often results in a large number of candidate formulas. To address these issues, we developed two machine learning (ML)–based methods for molecular formula recommendation and structural formula estimation. In this study, these methods are applied to the analysis of aroma compounds in spices using SPME-GCxGC-TOFMS.<h4>Experiments</h4><ul><li>Sample: 0.25 mg dried cardamom seeds&nbsp;</li><li>GC-HRTOFMS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=23&amp;search=JMS-T2000GC">JMS-T2000GC</a> (JEOL)&nbsp;<ul><li>SPME Fiber: DVB/CAR/PDMS fiber (20 mm, 50/30 μm) at 50°C for 30 min.&nbsp;</li><li>GCxGC Thermal modulator: INSIGHT-Thermal (Sepsolve)&nbsp;</li><li>Modulation period: 6 s&nbsp;</li><li>Column: BPX5 30 m, 0.25 mm. 0.25 µm × Rxi-17Sil MS 3.4 m, 0.15 mm, 0.15µm</li><li>Ionization: Electron ionization (EI) and Field ionization (FI).&nbsp;</li></ul></li><li>Data processing: msFineAnalysis AI (JEOL)</li></ul><h4>Conclusion</h4>We reported two machine learning (ML)-based methods for molecular formula recommendation and structural formula estimation, and applied them to the analysis of aroma compounds. Our method is considered effective for rapid structural estimation of unknown compounds in GCxGC-MS measurements.<h3>3. Shimadzu: HS-GC Analysis of Sake Aroma Compounds Using Hydrogen Carrier Gas</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00886_en_974e971712.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>Aroma compounds in alcoholic beverages can be quantified easily and cost-effectively.</li><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20+NX">HS-20 NX headspace sampler</a> enables simple, high-sensitivity analysis of aroma compounds.</li><li>Using hydrogen as the carrier gas reduces costs while maintaining separation performance.</li></ul>Aroma is a crucial component of sake. Therefore, during the sake production process, it is essential to preserve the sake’s aroma profile. One key step in sake production is pasteurization (“hiire”), in which unpasteurized sake is heated to sterilize it, deactivate enzymes, and halt fermentation. This pasteurization step is known to impair the aroma of sake if it is carried out for too long or at too high a temperature. In this analysis, a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030">Nexis GC-2030 gas chromatograph</a> was combined with an HS-20 NX headspace sampler (Fig. 1) to quantify individual aroma compounds in sake before and after pasteurization.&nbsp;Headspace gas chromatography (HS-GC) is an effective method for analyzing volatile compounds, including aromas. HS-GC requires no pretreatment (e.g., derivatization), and sample preparation is straightforward: simply place the sample in a vial and perform the analysis.&nbsp;Hydrogen, which is inexpensive and readily available, was used as the carrier gas. Using H2 gas as the carrier reduces analysis costs while maintaining high separation performance over a wide range of linear velocities. However, because hydrogen is flammable, it must be handled with care. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030">Nexis GC-2030</a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2060">Nexis GC-2060</a> gas chromatographs can be equipped with an optional hydrogen sensor that measures H2 concentration in the column oven. If the hydrogen sensor detects a leak, the system shiftsto standby mode or automatically powers off, helping prevent accidents before they occur.<h4>Conclusion</h4>By combining the Nexis GC-2030 gas chromatograph with the HS-20 NX headspace sampler, the aroma compounds can be easily quantified without pretreatment such as derivatization. In addition, using inexpensive, readily available H2 as the carrier gas reduces analysis costs while maintaining high separation performance. Because the Nexis GC-2030 can be equipped with an optional hydrogen sensor, analyses using H2 carrier gas can be performed safely.<h3>4. Thermo Fisher Scientific: “Outside the box” Raman spectroscopy: Remote measurements for bulk samples</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/remote_measurements_for_bulk_samples_tn1524_en_498225b670.pdf">Full PDF for download</a></li></ul>The effectiveness of Raman spectroscopy depends, in general, on focusing the excitation laser onto the sample. However, there are many cases where a traditional spectrometer’s working distance is not sufficient to achieve this, in which case a focus-independent, long-distance collection proves invaluable. One potential application of this focus-independent “remote” measurement is high-throughput plastics recycling, where many differently sized plastics are passed along at a fixed distance and screened for specific material identification. Similarly, any potential use cases of samples inside a glove box or within a hazardous environment may benefit from long-distance collection, because the laboratory grade spectrometer can be kept clear of the sample enclosure while providing excellent spectral signal. It should be noted that each unique application comes with its own optical beam path and laser safety requirements.In addition to this particular modality, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2238">Thermo Scientific™ DXR3 Flex Raman Spectrometer</a> provides excellent experimental versatility with micro scale, bulk sampling, and fiber probe collection modes also available. Shown below is a longdistance analytical setup in which the DXR3 Flex Raman spectrometer passes the unfocused laser beam through a quartz shielding window onto a polystyrene sample (Figure 1). The relationship between pathlength/sample mounting preparation and spectral signal is investigated below, to validate the use of a long-distance collection mode as a viable alternative to more traditional, focus-dependent analysis. It is worth mentioning the practice of standoff Raman spectroscopy, a technique designed to provide Raman data at distances ranging from 1 m to several hundred meters. However, these systems often require significantly different components than a standard Raman spectrometer, such as pulsed lasers, gated detectors, UV excitation wavelengths, and telescopic focusing elements.¹ The work described here performs measurements at a distance with a simple, off-the-shelf, benchtop spectrometer.<h4>Practical use case: recycled plastic identification&nbsp;</h4>One of the major benefits of this long-distance measurement technique is being able to handle samples of various sizes and thicknesses without needing to adjust the laser focus for specific samples. The following results simulate a potential use case where remote Raman spectroscopy is used to rapidly identify the plastic materials of various sizes. The samples were fixed at a 50 cm pathlength, and collection times were set at 10 s.All three samples show clear and identifiable Raman signals. The plastic drum is identified as polyethylene, while the water bottle is a specific, BPA-free polycarbonate alternative. The plastic bag is multilayered, with signals from both polyethylene and polycarbonate, along with a visible fluorescence peak at 2150 cm-1. All of these different polymers are spectroscopically identifiable, and at a range of different sample thicknesses. These results provide an excellent view into the use of this technique on non-reference samples. This is just one example of a potential use for the long-distance collection mode, a mode which enables much greater versatility in experimental design and instrument placement.</div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 18, 2026

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ASMS 2026: Bruker Plenary and Breakout Sessions

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Seeing Through the Barrier: Practical Limits and Best Practices for Raman Sample, Container, and Test Conditions

Simplifying Real-Time Natural Gas Monitoring with Integrated Process Raman and Flow Measurement

Infrared Measurement – Basic Principles