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 25th 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 application notes by Agilent Technologies and Shimadzu!<h3>1. Agilent Technologies: A More Sustainable Analysis of Ethylene Oxide and 1,4-Dioxane in Surfactants with Hydrogen Carrier Gas&nbsp;</h3>Using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977B+GC%2FMSD">5977B GC/MSD</a> 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_ethylene_oxide_1_4_dioxane_surfactants_hydrogen_carrier_gas_5994_8335en_agilent_886a988649.pdf">Full PDF for download</a></li></ul>EO and 1,4-dioxane are key industrial chemicals, frequently found in the production of surfactants. During alkoxylation processes, residual raw materials or byproducts, such as EO and 1,4-dioxane, may remain in the final surfactant product (Figure 1). Although manufacturers have made significant strides in reducing these byproducts, increasing regulatory scrutiny on EO and 1,4-dioxane underscores the need for precise analytical methods to detect these compounds at low concentrations.1–4 Thus, there is an urgent need to develop methods that can accurately quantify these compounds at levels as low as 0.1 ppm in consumer products.This study presents a method for the detection of EO and 1,4-dioxane using GC/MS with an HS sampler and a HydroInert source for hydrogen carrier gas. The use of hydrogen instead of helium not only addresses the global helium shortage but also ensures excellent sensitivity and linearity, while maintaining the integrity of the analytical process. The HydroInert source further eliminates chemical reactions often associated with hydrogen in mass spectrometry, offering a sustainable and reliable solution. The method developed in this study successfully quantifies both EO and 1,4-dioxane at the low concentrations required by current regulations, offering an accurate, reliable approach for compliance in surfactant manufacturing.<h4>Experimental&nbsp;</h4>This work was carried out using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7890+GC">7890 GC</a> with helium carrier gas and an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">8890 GC</a> with hydrogen carrier gas. Both GC systems were configured with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977B+GC%2FMSD">5977B GC/MSD</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3+autosampler">PAL3 autosampler</a> for headspace sampling. For the analysis using hydrogen carrier gas, the GC/MSD was fitted with a HydroInert source. The HydroInert source produces spectra in hydrogen that closely match those from helium-based libraries, such as NIST. This ensures spectral fidelity, allowing the same quantification and qualifier ions used in helium methods to be applied in SIM and MRM modes with hydrogen. Method parameters are shown in Table 1.<h4>Conclusion&nbsp;</h4>This work establishes a first of its kind method using hydrogen carrier gas to reliably measure ethylene oxide and 1,4-dioxane in surfactants. Mass spectrometry detection was optimized for use with hydrogen by installing an Agilent HydroInert source. The HydroInert source helps to avoid sensitivity loss and spectral anomalies that are common with hydrogen carrier gas applications, resulting in suitable linearity, precision, accuracy, and LOQs for this analysis.<h3>2. Shimadzu: How Long Does A Perfume Last on Skin? – Fragrance Analysis by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> and Smart Aroma Database</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_04_ad_0309_en_60c887beed.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>Achieve highly accurate and reproducible analysis of aroma compounds on human skin, ensuring reliable data for evaluating perfume performance.</li><li>Smart Aroma Database simplifies the qualitative and quantitative analysis process, reducing the time and effort required for data interpretation.</li></ul>The duration on how long fragrance lasts on human skin is a critical factor in the development and evaluation of perfumes. Gas Chromatography Mass Spectrometry (GC-MS) is a powerful analytical technique that allows for the detailed analysis of volatile and semi-volatile compounds, making it an ideal tool for studying fragrance. In this application note, a study was performed to examine fragrance on human skin at different durations after applying a perfume. Here, we explore the use of a Monolithic Material Sorptive Extraction (MMSE) MonoTrap, a sorptive extraction device to extract fragrance from human skin, followed by analysis using Shimadzu GCMS-QP2050 (Fig.1). Additionally, Smart Aroma Database was used to simplify the method development.<h4>Experimental</h4><h5>Instrumental and Analytical Conditions&nbsp;</h5><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> (Shimadzu Corporation, Japan) was employed in this work (Fig. 1). The details of the system configuration is shown in Table 1. Sample acquisition was done by following the analytical method from Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Smart+Aroma+Database">Smart Aroma Database</a>. MonoTrap SG DCC18 was purchased from GL Sciences, Japan (catalog no. 1050-70002).<h4>Results &amp; Discussion&nbsp;</h4><h5>Fragrance Compounds Detection&nbsp;</h5>The scan total ion chromatogram (TIC) of the diluted perfume sample is shown in Fig. 4. A total of 60 out of the 498 fragrance compounds in Smart Aroma Database were detected. These compounds were then monitored for this study. Fig. 5 shows a few mass chromatograms of the monitored fragrance compounds.<h5>On-skin Fragrance Study&nbsp;</h5>The on-skin fragrance study was conducted to evaluate the persistence of perfume compounds over time. Sampling was performed at three distinct time points: 15 minutes, 1 hour, and 6 hours after applying the perfume (as described in Fig. 2). Fig. 6 shows the percentage of compounds detected (out of 60 compounds) in these three different time points.<h4>Conclusion&nbsp;</h4>In this study, we demonstrate the effectiveness of using GCMSQP2050 with Smart Aroma Database and Monotrap adsorbent to analyze the behavior of perfume fragrance on human skin. The result shows decrease percentage of number of compounds detected over time. The peak area of most compounds were reduced as well. Sampling repeatability shows that 57 out of 58 detected aroma compounds exhibiting %RSD values below 20% (n=3).

News from LabRulezGCMS Library - Week 35, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 1st 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 poster by Agilent Technologies / ASMS and application notes by EST Analytical and Shimadzu!<h3>1. Agilent Technologies / ASMS: Analysis of Phthalates Using GC/MS With Hydrogen Carrier Gas: The Importance of Reducing Interferences and Contamination&nbsp;</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_5977c_phthalates_hydrogen_gas_asms_2025_mp_359_en_agilent_d51f599179.pdf">Full PDF for download</a></li></ul>Due to the price of helium (He), many laboratories are looking for alternative carrier gases for their gas chromatography/mass spectrometry (GC/MS) methods. This work describes the evaluation of a single quadrupole GC/MS method for the analysis of 19 phthalates using hydrogen carrier gas and an EI source 1 . The method provides excellent peak shape, resolution, sensitivity, and a 13 min run time. Calibration curves were linear for 16 of the phthalates, with the remaining 3 alkoxy phthalates requiring a quadratic fit. Except for DINP and DIDP (mixtures of isomers), all compounds could be quantitated at low pg levels. Specific attention to the consumables used and their preparation before use is discussed and is important for reaching the lowest calibration levels.<h4>Experimental</h4><ul><li>GC: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+gc">Agilent 8890 GC</a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693A">Agilent 7693A automatic liquid sampler</a> and tray</li><li>Column: Agilent HP-5MS UI 20 m x 0.18 mm id x 0.18 µm (p/n 19091S-577UI)</li><li>MSD: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C+GC%2FMSD">Agilent 5977C Inert Plus GC/MSD</a></li></ul><h4>Conclusions</h4><ul><li>The Agilent 5977C GC/MSD and 8890 GC, when used with the method described here, provide excellent peak shape, resolution, sensitivity, and a 13 min run time..&nbsp;</li><li>The combination of hydrogen carrier and the Agilent J&amp;W HP-5ms 180 µm diameter column allowed for reduced analysis time relative to helium and a 250 µm diameter column .&nbsp;</li><li>Calibration curves were linear for 14 of the phthalates from 1 to 1,000 pg. DMEP and DBEP required quadratic curve fits, and DMEP and DEHP were calibrated from 2.5 to 1,000 pg. DINP and DIDP were calibrated from 50 to 20,000 pg with a linear fit.&nbsp;</li><li>Specific attention to the consumables used and their preparation before use is important for reaching the lowest calibration levels.</li></ul><h3>2. EST Analytical: The Determination of Flavors in E-Liquids Using Purge and Trap Concentration</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_E_Liquid_Compound_Sampling_Using_Purge_and_Trap_5c709b52f0.pdf">Full PDF for download</a></li></ul>E-liquid can be composed of propylene glycol or vegetable glycerin alone or can be a combination of the two. Propylene glycol is less viscous and carries better flavor. It also acts as a preservative. However, it does produce less vapor and some people are allergic to it. Vegetable glycerin, on the other hand, is much denser, is super hypoallergenic and produces more vapor. The drawback to the vegetable glycerin is that it is not a preservative, so the vape liquid will not last as long. Both glycerin and propylene glycol readily dissolve in water, so preparing the samples to test by purge and trap was relatively easy. Conversely, as the E-liquid emitted a strong odor of the added flavors, only a small amount of the solution could be used for analysis. The volatile flavor components of the vape liquid were examined by dissolving the solution in water and sampling the water using purge and trap.<h4>Experimental</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160">Evolution purge and trap concentrator </a>was configured with a Vocarb 3000 trap. The trap was conditioned at 260ºC for one hour. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159">Centurion WS syringe autosampler</a> was set in water mode in order to run 5 ml samples. Next, samples were prepared using 10ul of vape solution dissolved in 100mls of de-ionized water. The parameters for the autosampler/purge and trap concentrator and the Gas Chromatograph/Mass Spectrometer (GC/MS) are outlined in Tables 1 and 2.<h4>Conclusions</h4>Since vape solution readily dissolves into water, purge and trap sampling proved to be an excellent technique for the determination of the volatile compounds in the E-liquids. Purge and trap sampling is an exhaustive sampling technique, so the results were very reproducible and provided the sensitivity to determine the lower level compounds in the solution. Furthermore, it was found that nicotine addition to the solution has an effect some of the compounds in the solution. So, the taste of the vape liquid is affected by the amount nicotine in the mix.<h3>3. Shimadzu: Determination of Nitrobenzene Compounds in Nifedipine by GCMS&nbsp;</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_03_gcms_589_en_23eda751e7.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>The direct dissolution protocol without pre-treatment, significantly enhancing analytical efficiency.</li><li>The specificity of the method is ensured by monitoring the characteristic ions of nitrobenzene compounds in selected ion monitoring (SIM) mode, which provides robust resistance to interferences.</li></ul>Nifedipine, a dihydropyridine calcium channel blocker with vasodilatory properties, is primarily indicated for the clinical management of hypertension and angina pectoris. Its synthetic route commences with 2-nitrotoluene as the starting material. Notably, the intermediate 2-nitrobenzyl alcohol, the byproduct 2- nitrobenzyl bromide, the reaction product 2-nitrobenzaldehyde, and potential impurities (3-nitrobenzaldehyde and 4- nitrobenzaldehyde) all contain nitrobenzene moieties, rendering them candidatesfor monitoring as potential genotoxic impurities. Previous studies have demonstrated that 2-nitrobenzaldehyde and 4-nitrobenzaldehyde exhibit mutagenicity in the Ames test, while 2-nitrotoluene has shown carcinogenicity in animal experiments. In accordance with the toxicological concern threshold (TTC) control approach specified in ICH M7, a threshold of 1.5 μg/day is recommended for genotoxic impurities in pharmaceuticals intended for lifelong administration. In this study, a method for the determination of six genotoxic impurities in nifedipine was developed using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">Shimadzu GCMSQP2050</a> gas chromatography mass spectrometry. This method features simplified sample preparation, high sensitivity, and favorable repeatability, thereby enabling effective monitoring of the six nitrobenzene compounds as genotoxic impurities in nifedipine pharmaceutical.<h4>Analytical Conditions</h4>The analytical conditions are shown in Table1. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> system was used for this Application News.<h4>Conclusion&nbsp;</h4>A GC-MS method was established for the quantification of six nitrobenzene genotoxic impurities in nifedipine pharmaceuticals using a Shimadzu GCMS-QP2050 system. The calibration curves showed excellent linearity within the concentration range of 20-200 μg/L, with correlation coefficients (R&gt;0.999). Precision was evaluated through six replicate injections of the 50 μg/L standard solution, and the relative standard deviations (RSDs) of peak areas for all analytes were less than 4%. Spike recovery experiments were performed at three concentration levels (0.005, 0.01, and 0.032 μg/g) in actual matrices, resulting in recovery rates ranging from 95.85% to 117.64%. This method is characterized by simplified sample preparation, high sensitivity (IDLs of 0.263-0.496 μg/L), and good repeatability. Overall, it provides a validated analytical strategy for quality control monitoring of the target genotoxic impurities.

News from LabRulezGCMS Library - Week 36, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 6th October 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 / AOAC, application notes by EST Analytical and Shimadzu and brochure by Thermo Fisher Scientific!<h3>1. Agilent Technologies / AOAC: Method Translation for the Analysis of Vanilla Extracts Using a Compact, Single Channel GC-FID and Carrier Gas Switching Module</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_vanilla_single_channel_gcfid_carrier_gas_aoac_2025_w020_en_agilent_17c7d568c9.pdf">Full PDF for download</a></li></ul>Vanilla is a flavor variety that has been heavily impacted by changes in consumer habits as well as by supply and demand of vanilla beans used to produce high-quality vanilla extracts. Unfortunately, these market conditions, increase the likelihood of adulteration in vanilla extracts by use of aroma chemicals that are not naturally occurring. Common adulterants are coumarin (C), ethyl vanillin (EV), eugenol (E), and guaiacol (G).2,3 Adulteration impacts the standard of identity for vanilla extracts established by the U.S. FDA; therefore, flavor companies rely on QC labs to implement reliable and sensitive analysis techniques for screening incoming raw ingredients against expected purity standards before the ingredient can enter a flavor formula on the manufacturing floor. Screening is typically executed with gas chromatography (GC)- based methods adapted from those used in a R&amp;D lab. However, differences in column length, diameter, and phase can make it seem challenging to harmonize GC methods across the R&amp;D and QC functions within a company due to the different analysis objectives of the respective laboratories.&nbsp;<h4>Experimental Goals</h4><ul><li>Demonstrate the ease of the Agilent Method Translator in harmonizing GC methods for multiple columns and gases&nbsp;</li><li>Establish method precision, linearity, and resolution on standards of vanilla-like adulterants using the translated methods&nbsp;</li><li>Successfully showcase the method translation using store-bought extracts to verify the integrity of the fastest GC method on samples containing matrix&nbsp;</li><li>Screen for and quantify any vanilla adulterants in the samples of vanilla extracts with the goal of detecting no adulterants using the fastest GC method.</li></ul><h4>Experimental&nbsp;</h4><ul><li>GC System: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8850+GC">Agilent 8850 GC</a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693A+Automatic+Liquid+Sampler">7693A Automatic Liquid Sampler</a></li></ul><h4>Conclusions</h4><h5>Method Translation</h5><ul><li>The method translator tool provided an easy conversion of a 50-minute-long method to one that is &lt; 5 minutes resulting in a speed gain of 10-fold and 14-fold, for He and H2 carrier gases, respectively (Figures 2 and 3)&nbsp;</li><li>Resolution of analytes were &gt;4 on the 60 m and &gt;3.5 on the 10 m DB-1 columns (Table 2)</li><li>Precision was &lt;1.85% RSD and &lt;2.5% RSD for He and H2 carrier, respectively (Table 3)</li><li>Linearity was demonstrated from 10 ppm to 100,000 ppm for He and H2 carrier with R2 ranging from 0.9997 to 1.0000&nbsp;</li></ul><h5>Carrier Gas Switching</h5><ul><li>He and H2 carrier gases were alternated line by line in a sequence table for increased analytical efficiency and higher throughput while demonstrating the flexibility the helium conservation module provides its users while also eliminating manual changes to plumbed gases at the GC EPC Module.</li></ul><h3>2. EST Analytical: Optimizing 8260 Sample Throughput - Solutions for the Determination of Bromomethane by Purge and Trap</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_Solutions_for_the_Determination_and_Stability_of_Bromomethane_by_P_and_T_App_Note_Rev_2_177c75d029.pdf">Full PDF for download</a></li></ul>The United States Environmental Protection Agency’s (USEPA) Method 8260 has an extensive list of compounds of interest. In order to purge and trap these analytes, there needs to be an analytical trap able to trap these compounds and desorb them to the Gas Chromatograph/Mass Spectrometer (GC/MS) both accurately and efficiently. Due to the broad range of compounds on the Method 8260 list, there are many issues to take into account. Purge efficiency, molecular weight, volatility, and water are among the most problematic issues. The purge and trap concentrator and analytical trap must be able to account for all of these concerns.&nbsp;The most commonly used analytical trap is the Vocarb® 3000 due to its ability to trap and desorb the extensive analyte list both effectively and correctly. However, the Vocarb® 3000 trap is not without its drawbacks. One of which is Bromomethane degradation in the trap over time. This application will examine the Vocarb® 3000 and a custom trap along with the optimum trap temperature parameters for the stability of Bromomethane.&nbsp;<h4>Experimental</h4>The purge and trap concentrator used for this study was the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160">EST Analytical Evolution</a>. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159">Centurion Water and Soil autosampler</a> equipped with the syringe option was employed as the autosampler. Separation and analysis of the volatile compounds was performed by the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890A">Agilent 7890A Gas Chromatograph (GC) </a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977B">5977B Mass Spectrometer</a> (MS). 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 Rxi624 Sil MS</a> 30m x 0.25mm x 1.4µm column. The purge and trap parameters and analytical traps used for this study are listed in Tables 1 and 2 while Table 3 details the GC/MS parameters.<h4>Conclusions</h4>Initially, all of the traps and heating parameters used in the EST Analytical Evolution met USEPA method 8260 requirements and could be used in the laboratory. However, the custom trap and the higher temperature desorb and bake showed a lower response when compared to using a lower temperature desorb and bake. Furthermore, over time, the custom trap and higher temperature desorb and bake displayed lower recoveries of Bromomethane which could in turn affect the continuing calibration standards. The Vocarb® 3000 trap with the lower temperature desorb and bake proved to be the optimum method for sampling USEPA Method 8260 compounds. The technique met all of the method requirements and exhibited the best response and stability not only for Bromomethane but also for the rest of the extensive compound list.<h3>3. Shimadzu: Quantitative Analysis of Furan and Alkylfurans in Processed Food Using Headspace 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_01_00906_en_878a49b98e.pdf">Full PDF for download</a></li></ul>Furan and alkylfurans are aromatic compounds with a fivemembered ring structure. Furan and some alkylfurans, such as 2-methylfuran, 3-methylfuran, and 2,5-methylfuran (furan with a hydrocarbon chain attached), are found in processed food. They are generated through a variety of pathways during heat treatment of the food. Some countries have studied these compounds and concluded they are a health concern. 1) At present, no country has set permissible levels for furan or alkylfurans in food. But since they are harmful substances that are generated unintentionally during the processing of food, analyzing them is becoming increasingly important. In this Application News, the levels of furan and alkylfurans in commercially available processed food were measured.<h4>Equipment&nbsp;</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> gas chromatograph mass spectrometer has a compact design for a smaller installation footprint. When combined with 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>, the GCMSQP2050 can simply and accurately measure furan and alkylfuran levels in processed food. The DuraEase ion source, which is specifically designed for durability and ease of maintenance, also providesreduced maintenance requirements.<h4>Conclusion&nbsp;</h4>In this Application News, headspace GC-MS analysis was used to measure levels of furan and alkylfurans in processed food. Analysis of standard samples produced good results in terms of separation, calibration curve linearity, and repeatability. Analyzing food samples and comparing the results obtained by the external standard method and the standard addition method showed that the matrix effects differed depending on the sample.<h3>4. Thermo Fisher Scientific: Everything You Need in a GC Detector: VGA-100 Gas Chromatography Detector for TRACE 1600 Series GC</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_003592_gc_vuv_detector_vga_100_isomers_br003592_na_en_0a48830aff.pdf">Full PDF for download</a></li></ul><h4>Performance synergy—the VGA-100 detector and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/483">TRACE 1600 Series GC</a>&nbsp;</h4>VUV absorbance and gas chromatography offer a perfect match, joining insights on light absorption in the VUV range with each compound’s unique gas phase absorption features. The innovative VUV absorption technology of the VGA-100, combined with the robust and reliable performance of the Thermo Scientific™ TRACE™ 1600 Series gas chromatograph, offers a powerful analytical solution to support timecritical laboratory demands.&nbsp;Harnessing breakthrough gas chromatography technology, VGA-100 provides unmatched precision and data quality with faster results and higher sample volume. Experience analytical insights with a system designed for ease of use that delivers accurate, reportable results across a diverse range of industries.<h4>Explore the benefits of VUV technology&nbsp;</h4>The unique capabilities of the VGA-100 detector for the TRACE 1600 Series GC help solve common challenges, such as correct isomer identification, poor selectivity, long method run times, analyte co-elution, burdensome data processing and analysis, and method scalability to production environments.&nbsp;<h5>Expand detectable compounds.&nbsp;</h5>Access to a wider range of analytes with enhanced sensitivity towards impurities as well as accurate sample profiling, thanks to the combined universal and selective response of the VGA-100 detector.&nbsp;<h5>Unambiguous identification.&nbsp;</h5>The VGA-100 universal mass-sensitive detector delivers comprehensive data for robust analysis. Data provided in 3D (time, wavelengths, and intensity) supports reliable identification through spectra that can be matched to a dedicated library, including isomers discrimination.&nbsp;<h5>Ease of use and maintenance.&nbsp;</h5>Robust and easy to set up and operate, the VGA‑100 requires minimal maintenance, with no vacuum pumps required. An intuitive design supports high demands for throughput and compliance, supporting the needs of both research and quality control laboratories.&nbsp;<h5>Faster analysis.&nbsp;</h5>Obtain rapid and accurate results with the advanced capabilities of VUV technology, complemented by the fast and efficient chromatographic separation of the TRACE 1600 Series GC.&nbsp;<h5>VUV Analyze Software for push-button simplicity&nbsp;</h5>The advanced post-acquisition processing capabilities of VUV Analyze™ Software (VUV Analytics, Inc.) allows laboratories to generate meaningful results with just the push of a button. This cutting-edge software platform swiftly analyzes complex chromatographic and spectral data, delivering method-specific results and reports. By automating the analysis process, VUV Analyze Software significantly streamlines and speeds up each run while minimizing errors, leading to greater confidence in results.

News from LabRulezGCMS Library - Week 41, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 13th October 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 / AOAC and application notes by EST Analytical, Shimadzu and Thermo Fisher Scientific!<h3>1. Agilent Technologies / AOAC: Analysis of Pesticides in Spices with Hydrogen Carrier Gas</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_pesticides_hydrogen_carrier_gas_aoac_2025_w007_en_agilent_280dd876d5.pdf">Full PDF for download</a></li></ul>Spices are considered as one of the most challenging matrices for analysis of pesticides. Usually, the sample analysis involves 5-10 fold dilution to reduce the matrix load. Thus, lower instrument detection limits need to be achieved. Use of hydrogen as carrier gas can further pose changes in terms of sensitivity. This work describes the suitability of the hydroinert and HES ion source to achieve the required sensitivity. Samples were extracted using QuEChERS based approach followed by dispersive cleanup. Linearity was evaluated against matrix matched standards within the range of 0.5-50 ng/mL. Correlation coefficient (r2) for calibration ranging between 0.5 -50 ng/mL was found above 0.95. Precision study was carried out by injecting 6 replicates of pre-spiked samples at 10 ng/g. The average relative standard deviation (%RSD) was &lt;20% with recoveries ranging from 72-125%. The advantages of the method include utilization of same retention time MRMs and collision energies. This allowed for easy transition from helium to hydrogen carrier gas.<h4>Experimental</h4>An Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">8890 GC</a> coupled to a 7000 (with HydroInert source) / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010+Triple+Quadrupole+GC%2FMS">7010 Triple Quadrupole GC/MS</a> system equipped with High Efficiency Source (HES) was used. The GC system was equipped with a MultiMode Inlet (MMI) with air cooling and a back flushing system based on a Purged Ultimate Union controlled by a PSD module.<h4>Results and Discussion&nbsp;</h4>The oven temperature program used with H2 as the carrier gas was maintained identical to that used with He. The analytical method originally optimized for a 20- minute runtime using He was successfully adapted for H2. This ensured preservation of chromatographic resolution and retention time fidelity across carrier gas substitution, as evident from the elution order shown in Figure 3. The chromatograms indicate presence of high matrix load at initial 7 mins for all the spices. At RT 10-13 min, matrix load of and chilli was high. The matrix load from black pepper was very high throughout the runtime. Backflush of 7 min was used to remove the matrix.&nbsp;Transitioning from He to H2 can often lead to reactions at the ion source resulting in spectral changes when compared with He. Therefore, EI sources with reduced or eliminated source reactivity such as HydroInert and HES is essential to minimize or prevent the undesirable insource reactions when using hydrogen. The tested mixture of pesticides were compared against the NIST library to ensure spectral fidelity. As evident form Figure 5, the library match percentages were acceptable and this the existing MRM database could be used for acquisition in MRM mode, without the requirement of any additional MRM development.<h4>Conclusions</h4>Agilent GC/TQ systems with HydroInert and HES sources delivered consistent sensitivity and spectral fidelity using hydrogen carrier gas, without re-optimizing MRM transitions or collision energies. Retention times and elution order were preserved across complex spice matrices. The systems achieved LOQs of 2.5 to 5 ppb after five-fold dilution, even in heavily loaded matrices like black pepper, confirming reliable quantitation in high-background spice samples.<h3>2. EST Analytical: A Single Calibration Method for Water AND Soil Samples Performing EPA Method 8260</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_A_Single_Calibration_Method_for_Water_AND_Soil_Samples_Performing_EPA_Method_8260_27f8b93aad.pdf">Full PDF for download</a></li></ul>In order to run Method 8260 samples, a bromofluorobenzene (BFB) tune standard, matrix blank, calibration standard, and laboratory control standard all have to be run and pass method requirements every twelve hours. With the exception of the BFB standard, the other standards and blank matrices have to correspond to the samples to be analyzed. Due to this constraint, the analyst is required to run another three samples if the matrix is changed within the twelve hour time window. Moreover, the calibration must also match the sample matrix. These requirements are very time consuming and can limit laboratory profits. This application note will demonstrate a patented automated water sampling mode using the soil sampling station of the autosampler thus eliminating the need to have separate calibrations and standards for waters and soils.<h4>Experimental</h4>The sampling system used for this study was the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159">EST Analytical Centurion WS autosampler</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160">Evolution concentrator</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?search=5975">5975 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 MS </a>30m x 0.25mm x 1.4µm column. The experiments were run using the extraction mode of the Centurion WS. Refer to Table 1 for the sampling method parameters and Table 2 for GC/MS parameters.<h4>Conclusion</h4>The patented sampling process of the Centurion WS proved to be a reliable and accurate sampling method for running water samples in the soil mode. The curve linearity and method detection limits both met USEPA Method 8260 requirements, and the precision and accuracy results were excellent. The water extraction option offered with the Centurion WS will save laboratories time and money because only one set of standards, curves, etc. is required for both water and soil samples.<h3>3. Shimadzu: Measurement of Volatile Organic Compounds in Water by Headspace GC-MS with Nitrogen 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_00907_en_077ab0a675.pdf">Full PDF for download</a></li></ul>Due to the health issues associated with volatile organic compounds (VOCs), standards and regulations are established for VOC levels in water. VOCs are preferably measured by methods that involve simple sample pretreatment, and headspace GC-MS is one of these methods commonly used to measure VOC levels. GC-MS is normally performed with helium carrier gas, but helium gas could require more cost and lead time to obtain for analytical use every year. There is a need for a GC-MS analysis method that can be performed using relatively inexpensive and readily available nitrogen carrier gas. While nitrogen carrier gas results in inferior analytical sensitivity compared with helium carrier gas, trap mode sampling can salvage the reduction of the sensitivity. This Application News presents an example measurement of VOCs in water using nitrogen carrier gas performed on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> gas chromatograph mass spectrometer and 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> in trap mode.<h4>Samples and Analysis Conditions&nbsp;</h4>Standard solutions were prepared by diluting 25 standard VOC mixture in methanol to 1, 2.5, 5, 10, 25, 50, 100, and 250 mg/L. The standard solutions were combined with internal standards 1,4-dioxane-d8 at 100 mg/L, fluorobenzene at 12.5 mg/L, and pbromofluorobenzene at 12.5 mg/L.<ul><li>GC-MS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a></li><li>Head Space Sampler: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20+NX">HS-20 NX</a></li></ul><h4>Conclusion&nbsp;</h4>VOC levels in water were measured using an HS-20 NX in trap mode and a GCMS-QP2050 with nitrogen carrier gas. Trap mode allowed VOCs to be measured in water with a high degree of sensitivity, even with nitrogen carrier gas.<h3>4. Thermo Fisher Scientific: Enhanced trace moisture analysis in organic solvents using GC with multi-channel VUV detection</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003954_gc_luma_detector_trace_1610_industrial_pharma_an003954_na_en_c29f4875a6.pdf">Full PDF for download</a></li></ul>Monitoring water content in organic solvents is essential across various industries, notably in pharmaceutical manufacturing, where excess moisture can compromise active ingredient stability. Traditionally, Karl Fischer titration has been the benchmark technique, offering broad quantification capability. However, KF is limited by side reactions, reagent sensitivity, and incompatibility with high-throughput workflows. It also relies on hazardous solvents and extensive manual steps.&nbsp;Gas chromatography provides an alternative means of quantifying water when paired with an appropriate detector. While FID and TCD have been used, they lack the selectivity and sensitivity required for trace moisture detection. Ionization-based detectors like PDD improve detection but suffer from dynamic range limitations.The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=LUMA%E2%84%A2+VUV+detector">LUMA™ VUV detector </a>(VUV Analytics, Inc.) overcomes these drawbacks by employing vacuum ultraviolet absorbance in the 118–240 nm range, where water exhibits strong and selective absorption. Unlike other GC detectors, LUMA combines universality, spectral selectivity, and ease of use in a single platform.&nbsp;This work illustrates a GC method using a LUMA Multi-Channel VUV Absorbance detector to analyze moisture in acetonitrile from 250 ppb up to percent levels. This approach has several advantages over traditional techniques like Karl Fischer titration, including superior sensitivity for the analysis of trace levels of water in acetonitrile as well as percent levels. The achievable limit of detection for water in acetonitrile is 250 ppb, with method linearity over 0.25–100 ppm producing R² ≥ 0.999.&nbsp;<h4>LUMA detector highlights&nbsp;</h4><ul><li>Detection range: 125–1,050 nm VUV-UV-VIS&nbsp;</li><li>Channel configuration: Up to 12 discrete absorbance bands simultaneously acquired&nbsp;</li><li>Sensitivity: Low-ppb to percent level in a single method&nbsp;</li><li>Installation: Compact, uses any carrier gas and no vacuum pumps&nbsp;</li><li>Software integration: Fully controlled via Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)&nbsp;</li></ul>These capabilities enable detection of water and organic solvents in a single injection—dramatically simplifying workflows in quality control laboratories.<h4>Experimental&nbsp;</h4>The LUMA detector can be easily installed on a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/483">Thermo Scientific™ TRACE™ 1600 Series GC</a> and controlled in <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Chromeleon CDS</a>, providing method settings, data acquisition, and reporting in a single software platform.GC-VUV separation using the LUMA Multi-Channel Vacuum Ultraviolet Absorbance detector was based on a previously described method by VUV Analytics.¹ Method conditions for this experiment are described in Table 1.A commercially available 100 ppm KF standard (water in xylene) was used to determine sensitivity, linearity, and repeatability. To minimize the impact of environmental moisture in this experiment, the same solution has been used to simulate different water levels through varying split ratios and injection volumes.&nbsp;Seven concentration levels (0.25–100 ppm) were created using adjusted split ratios as summarized in Table 2. Five replicate injections were made at each level.<h4>Key application benefits&nbsp;</h4><ul><li>Replaces Karl Fischer titration for routine moisture analysis&nbsp;</li><li>Simultaneous quantification of water and organic solvents&nbsp;</li><li>Ideal for pharmaceutical QA/QC and regulatory environments&nbsp;</li><li>Fast, automated workflows with no vacuum or specialty gases&nbsp;</li></ul>This workflow is aligned with recent trends toward hybrid analytical techniques that reduce resource consumption and speed up decision-making in GMP labs.&nbsp;<h4>Conclusion</h4>The LUMA multi-channel VUV detector offers a transformative approach to moisture analysis in volatile organic solvents. It provides both trace-level sensitivity and wide dynamic range— enabling labs to consolidate workflows, eliminate time-consuming titrations, and enhance data reliability.&nbsp;By expanding GC capability to encompass water detection, LUMA bridges a long-standing gap in chromatographic technology, delivering measurable gains in efficiency and analytical scope.&nbsp;<ul><li>The detector operates in the 125 nm to 1,050 nm region of the spectrum, where nearly all compounds absorb, making it a universal GC detector.&nbsp;</li><li>The detector associates high sensitivity to high selectivity thanks to the simultaneous acquisition of 12 channels with different spectral range in the VUV spectrum.&nbsp;</li><li>Working with up to 12 channels, the detector allows the determination of multiple analytes in a single injection. For example, water, solvents, and a range of impurities including potential genotoxic impurities (PGIs).&nbsp;</li><li>In addition to having high sensitivity and selectivity, the LUMA detector is easy to use; it is controlled by Chromeleon CDS, fitting well into existing laboratory workflows, and does not require a vacuum pump or separate special carrier gases.</li></ul>

News from LabRulezGCMS Library - Week 42, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th November 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 brochure by Agilent Technologies, poster by LECO /MDCW, and application notes by Shimadzu and Thermo Fisher Scientific!<h3>1. Agilent Technologies: GC workflows for hydrogen vehicles and natural gas blending - Hydrogen Fuel Testing Solutions</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ac_hydrogen_fuel_purity_matters_compendium_5994_8643en_agilent_8da57fb7a2.pdf">Full PDF for download</a></li></ul>Agilent’s Hydrogen Fuel Testing Solutions compendium highlights the growing importance of reliable impurity analysis as hydrogen becomes a key clean-energy fuel. Because contaminants such as moisture, sulfur compounds, ammonia, oxygen, or organics can compromise fuel-cell performance and safety, the brochure emphasizes that hydrogen purity must be monitored throughout the entire supply chain—from production to storage, transport, and final distribution. Hydrogen blended into natural gas introduces additional challenges, since existing pipeline infrastructure was not originally designed for hydrogen, making rigorous analytical control essential for preventing corrosion, equipment malfunction, and safety issues.To address these challenges, Agilent presents a comprehensive suite of GC-based hydrogen testing workflows. The compendium showcases key analytical instruments—such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 GC</a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8355+SCD">8355 SCD</a>, 8255 NCD, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C">5977C GC/MSD</a>, and portable <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=990+Micro+GC">990 Micro GC</a>—each tailored for detecting critical impurities at trace levels in accordance with ISO 14687-2019, SAE J2719, and other global standards. Featured application notes demonstrate capabilities including ultratrace ammonia monitoring, analysis of sulfides and halides, sulfur speciation, and fast impurity screening for hydrogen and natural gas streams.Beyond instrumentation, the brochure outlines Agilent’s service ecosystem supporting method deployment, instrument verification, sustainability strategies, and lab operations management through CrossLab services and OpenLab software. These include preventive maintenance programs, financial solutions, certified pre-owned instruments, and consulting for analytical method development.Finally, the brochure connects hydrogen-fuel purity testing with broader sustainability goals. Agilent encourages laboratories to adopt circular-economy practices—reducing waste, extending instrument lifecycles, and improving energy efficiency—emphasizing that clean hydrogen starts with responsible, efficient, and reliable laboratory workflows.<h3>2. LECO / MDCW: BOOSTING NON-TARGETED ANALYSIS WITH COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY AND HIGH-RESOLUTION MASS SPECTROMETRY</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_18_Sebastiano_b4cf417f82.pdf">Full PDF for download</a></li></ul>The presentation by Sebastiano Panto (LECO EATC Berlin) focuses on demonstrating how comprehensive two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2-13-3&amp;mainauthorItems=24">GC×GC-HR-TOFMS</a>) significantly enhances non-targeted and targeted screening workflows, particularly in environmental analysis. Using liver extracts from Glaucous gulls (Larus hyperboreus) from the Svalbard region as a case study, the work aims to reveal contamination patterns and improve compound identification confidence.Sample preparation included homogenization, lipid removal, and multi-step cleanup involving GPC/SEC chromatography and Florisil fractionation, yielding separate non-polar and polar fractions for analysis (page 4). Analytical separations were performed on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">Agilent 8890 GC</a> equipped with a dual-column GC×GC setup (Rxi-5SilMS and Rxi-17SilMS), cryogenic modulation, and Helium carrier gas. Detection used the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=Pegasus+HRT%2B4D+HR-TOFMS">LECO Pegasus® HRT+4D HR-TOFMS</a> with multiple ionization modes—EI, PCI, and ECNI—enabling simultaneous acquisition of structural, isotopic, and exact-mass information (page 5).The results highlight the advantages of GC×GC-HR-TOFMS in non-target screening: improved separation patterns, higher library match scores, exact-mass confirmation, and enhanced structural elucidation. Electron ionization (EI) provided clean spectra with high match scores for classic pollutants (e.g., PCBs, DDE), while electron capture negative ionization (ECNI) greatly improved selectivity and sensitivity for halogenated contaminants such as toxaphenes and brominated flame retardants, enabling confident identification even when EI spectra were ambiguous (pages 6–13). The instrument’s high mass accuracy and isotopic fidelity are shown to be essential for distinguishing closely related halogenated compounds.The study concludes that combining GC×GC separation power with HR-TOFMS accurate-mass detection and complementary ionization modes offers a robust discovery platform for environmental exposomics. This analytical workflow supports more confident annotation of persistent organic pollutants (POPs) and emerging contaminants in complex biological matrices, ultimately helping assess ecological risks in sensitive Arctic ecosystems where these avian species reside (page 15).<h3>3. Shimadzu: High-Sensitivity Gas Analysis Using the GCMS-QP2050 and GI-30 Auto Gas Injector</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00953_en_7e1a865aae.pdf">Full PDF for download</a></li></ul>Gas analysis is conducted across a wide range of fields, including resources, energy, and the environment. Typical targets include inorganic gases such as H2, CO, and CO2, and light hydrocarbon gases starting with CH4, with analyses primarily performed using GC. In Application News No. 01- 00858, examples of gas sample analysis using TCD and BID installed on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a> were presented.&nbsp;However, qualitative analysis by GC requires standard substances, making the identification of unknown impurities in gas samples difficult. Furthermore, in inorganic gas analysis, complete chromatographic separation of peaks can be challenging, and when GC fails to fully separate them, both qualitative and quantitative analysis become difficult.&nbsp;In contrast, gas analysis using GC-MS enables qualitative identification of unknown components without standard substances through mass spectral library searches. Quantitation in GC-MS is performed using mass chromatograms, allowing accurate measurements even when peaks overlap.&nbsp;In this Application News, high-sensitivity analysis of inorganic gases and light hydrocarbon gases was performed using the compact yet high-performance <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a>. Gas samples were introduced using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30">GI-30 Auto Gas Injector</a>, enabling automated, continuous analysis and delivering higher reproducibility than manual sample injection.<h4>Instrument Configuration and Analytical Conditions&nbsp;</h4>A 10 ppm standard mixed gas sample in a cylinder was analyzed using the GCMS-QP2050. Gas sample injection into the GC-MS was performed with the GI-30 Auto Gas Injector (P/N: S221- 89755-41). The instrument configuration is shown in Fig. 1. The analytical conditions used are summarized in Table 1. Under typical ionization settings (ionization voltage 70 V and emission current 60 µA), ionization of the helium carrier gas generates a significant signal at m/z 2, making detection of H2 (monitor ion: m/z 2) difficult. Therefore, for analysis in SIM mode, the ionization voltage was set to 20 V and the emission current to 20 µA to suppress He ionization.<h4>Automated Continuous Analysis Using the GI-30&nbsp;</h4>The GI-30 Auto Gas Injector is a sample pretreatment device that automatically introduces a fixed volume of gas into the GC. It is used by connecting either a gas cylinder or a sample bag. When the GI-30 is connected to a gas cylinder, automated, continuous analysis of gassamples becomes possible.&nbsp;The GI-30 is equipped with an optional valve purge mechanism. Purging the internal valve with gas reduces the ingress of ambient air. This is effective for analyzing components in ambient air, such as N2 and O2, as well as for measuring tracelevel components.&nbsp;Table 2 shows the peak-area repeatability (%RSD) obtained when a 10 ppm standard mixed gas was analyzed automatically and continuously in SIM mode. As an example, an overlay of the CH4 SIM chromatograms is shown in Fig. 3. Because the GI-30 meters a fixed volume of gas into the GC via a sample loop, excellent reproducibility was achieved for all compounds.<h4>Conclusion&nbsp;</h4>Using the GCMS-QP2050, high-sensitivity analysis of inorganic gases, such as H2, and light hydrocarbons was achieved. Gas sample injection was performed with the GI-30 Auto Gas Injector, enabling automated, continuous analysis and delivering higher reproducibility compared with manual sample injection. The compact, high-performance GCMS-QP2050, together with the GI-30, enables automation and high-precision gas analysis, and supports greater efficiency in GC-MS-based gas analysis.<h3>4. Thermo Fisher Scientific: Trace analysis of epichlorohydrin in drinking water using GC-MS coupled with purge and trap</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003894_gc_single_quad_isq_7610_environmental_an003894_na_en_70123385ae.pdf">Full PDF for download</a></li></ul>Epichlorohydrin (ECH) is a versatile starting material in the production of drugs and polymers and is also used as an insect fumigant and solvent for organic synthesis reactions. ECH-based polymer pipes are commonly used in the production of drinking water due to their durability and resistance to corrosion. However, ECH is known for its high reactivity and toxicity, which poses significant health risks if it contaminates drinking water. Exposure to ECH can cause respiratory issues, skin irritation, and has been classified as a probable human carcinogen.Due to these risks, many countries have imposed strict limits on the amount of ECH allowed in drinking water. Recently, Europe set a minimum detection limit (MDL) of 30 parts per trillion (ppt) for ECH in drinking water.2 Whereas typically required detection limits for most compounds mandated for analysis in Europe can be achieved using methods based on static headspace, the stringent MDL required for ECH requires preconcentration, for example using purge and trap (P&amp;T) technology.3,4 This technology involves purging the water sample with an inert gas to release volatile organic compounds (VOCs), which are then trapped and concentrated for analysis, ensuring reliable detection at very low concentrations. In the United States, the analysis of VOCs in drinking water is mandated by the Environmental Protection Agency (EPA). The EPA requires the use of P&amp;T technology for drinking water analysis to ensure that even trace amounts of harmful compounds like ECH are detected and managed appropriately.&nbsp;The following evaluation describes the use of the ISQ 7610 Single Quadrupole MS system coupled with the Thermo Scientific™ TRACE™ 1610 GC with the Thermo Scientific™ HeSaver-H2 Safer™ split/splitless injector and Teledyne LABS Tekmar Lumin P&amp;T concentrator combined with the AQUATek LVA autosampler for the analysis of ECH in drinking water.<h4>Experimental</h4><h5>GC-MS parameters&nbsp;</h5>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486">TRACE 1610 GC</a> was coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ 7610 MS</a> equipped with the Thermo Scientific™ NeverVent ™ vacuum probe interlock (VPI) and an ExtractaBrite ion source. A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1773">Thermo Scientific™ TraceGOLD™ TG-VMS column</a>, 30 m × 0.25 mm, 1.4 µm film (P/N 26080-3320) was used for compound separation. The HeSaver-H2 Safer SSL injector was utilized to reduce the carrier gas consumption by decoupling the gas used for the chromatographic separation from the gas used to pressurize the inlet and maintain split and purge flows. The critical separations were maintained with a run time of under 15 minutes.For this analysis, the ISQ 7610 MS was operated in Selected Ion Monitoring (SIM) mode for increased selectivity, as required for this application. Extended method parameters for the ISQ 7610 MS are shown in Table 2.<h5>Instrument control and data processing&nbsp;</h5>Data was acquired, processed, and reported using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</a>. This software can control both the GC-MS system and the Tekmar Lumin P&amp;T with the AQUATek LVA. This allows a single software to be utilized for the full workflow, simplifying the instrument operation. This application note is available for download via the Thermo Scientific™ AppsLab Library, which contains all the parameters needed to acquire, process, and report the analytical data for analysis of ECH.5<h4>Conclusion&nbsp;</h4>This study demonstrates the capability of the Tekmar Lumin P&amp;T with the AQUATek LVA system connected to the ISQ 7610 Single Quadrupole GC-MS to detect and quantify low-level ECH in drinking water samples, in compliance with EPA requirements.&nbsp;<ul><li>Utilizing the Tekmar Lumin P&amp;T’s ability to purge with nitrogen, along with using the HeSaver-H₂Safer SSL injector, nearly four times less helium was consumed during the analysis without sacrificing system performance.&nbsp;</li><li>The linearity of the calibration curve from 30 ppt to 5,000 ppt passed method requirements.</li><li>The application proved robust during an extended study with 20 samples of a 1,000 ppt ECH standard injected over a series of 124 injections, obtaining 4.4% precision and 118% accuracy of the recovery.</li></ul>

News from LabRulezGCMS Library - Week 48, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 1st December 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, Shimadzu and Thermo Fisher Scientific and presentation by LECO /MDCW!<h3>1. Agilent Technologies: Analysis of 197 Pesticides in Durian by Agilent PAL 3 Autosampler and 7000E Triple Quadrupole GC/MSD</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_197_pesticides_durian_pal3_7000e_gc_msd_5994_8702en_agilent_e5a68eaf99.pdf">Full PDF for download</a></li></ul>Pesticide residue analysis in food products is critical to ensuring consumer safety and regulatory compliance. Durian (Durio zibethinus), known as the "king of fruits" and widely exported across Southeast Asia, China, and beyond, presents unique analytical challenges due to its sulfur-rich compounds, high fat content, and complex volatile matrix. Comprehensive pesticide analysis in such matrices demands highly sensitive, selective, and robust analytical solutions. The European Union Reference Laboratories (EURL) SANTE/11312/2021 guidelines set rigorous performance criteria for pesticide residue analysis, including strict requirements for method accuracy, precision, and sensitivity.1 Laboratories need to achieve recoveries between 70% to 120%, precision (RSD) below 20%, and quantification limits at or below regulatory maximum residue limits (MRLs), even in complex food matrices such as durian. This application note demonstrates a high-performance workflow for the analysis of 197 pesticides in durian using an Agilent PAL3 Autosampler combined with an Agilent 7000E Triple Quadrupole GC/MSD system. The PAL3 Autosampler provides high-throughput, precise sample handling, while the 7000E GC/MSD offers exceptional sensitivity and reproducibility for trace-level pesticide quantification. Optimized sample preparation and instrumental conditions ensure reliable performance, meeting and exceeding SANTE criteria for method validation.<h4>Experimental</h4><h5>PAL 3 RTC and 7000E GC/TQ parameters&nbsp;</h5>The analysis parameters are shown in Table 1. The target and ISTD compound MRM parameters are listed in Appendix&nbsp;1. Figure 1 shows a typical MRM chromatogram of targeted pesticides spiked in durian at a concentration of 100 ppb.<ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL+3">Agilent PAL 3 (Liquid Tool)</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 GC</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7000E">Agilent 7000E</a></li></ul><h4>Conclusion&nbsp;</h4>This study successfully demonstrated a robust and sensitive method for the quantitative analysis of 197&nbsp;pesticides in durian using an Agilent PAL3 Autosampler combined with an Agilent&nbsp;7000E Triple Quadrupole GC/MSD system. The optimized workflow, including sample extraction with an Agilent Bond Elut QuEChERS EN kit followed by cleanup with the Highly Pigmented dSPE kit, provided excellent recovery and precision. All target pesticides showed analysis accuracy between 80% and 120% and RSD values below 10% at a spiked level of 10 ppb. The results confirm the method's suitability for routine high-throughput pesticide quantification in complex matrices such as durian. The use of matrix-matched calibration and matrix‑optimized MRMs further ensured accurate and reproducible quantitation, reinforcing the method's applicability for regulatory and food safety testing.<h3>2. LECO / MDCW: Applying statistical data processing tools for GC×GC differentiation of alternative aviation fuels</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_18_Sebastiano_b4cf417f82.pdf">Full PDF for download</a></li></ul>The presentation introduces LECO’s long-standing role in separation science and its evolution from elemental analyzers to advanced mass spectrometry platforms. A key emphasis is placed on LECO’s innovations in time-of-flight mass spectrometry (TOFMS), including the Pegasus series and the new <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=Pegasus+BTX">Pegasus BTX</a>, a benchtop TOFMS offering high sensitivity, rugged detector technology, fast spectral acquisition (1–500 spectra/s), and broad mass range (10–1500 m/z). This technological foundation supports comprehensive GC×GC-MS workflows essential for analyzing chemically complex matrices such as aviation fuels.A major focus of the talk is on software tools for non-targeted data processing. LECO’s software ecosystem—<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF">ChromaTOF</a>, ChromaTOF Tile, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF+Sync">ChromaTOF Sync</a>—enables detailed deconvolution, quantitation, high-resolution spectral analysis, and especially statistical comparison of GC×GC datasets. ChromaTOF Tile uses a chromatographic “tiling” strategy to link datasets and detect differences between sample groups using three statistical metrics: Fisher Ratio, Coefficient of Variation (CoV), and Fold-Change. Each metric serves a different experimental purpose, from comparing traditional vs. synthetic jet fuels (Fisher Ratio) to exploring variability among multiple alternative fuel processes (CoV), or identifying additive components in two-sample comparisons (Fold-Change).The presentation demonstrates how raw GC×GC-MS data are curated into feature tables, statistically evaluated, and visualized in PCA plots, bar charts, and chromatographic overlays. For example, Fisher Ratio comparison highlights statistically significant chemical differences between conventional Jet A and synthetic fuels, while CoV analysis reveals clustering patterns among diverse synthetic fuel production pathways such as LT-FT SPK, HT-FT SPK, HEFA, SIP, ATJ, and CHJ. These workflows enable analysts to rapidly identify biomarkers or distinguishing compositional features within highly complex hydrocarbon matrices.Ultimately, the talk demonstrates that choosing the correct statistical processing method can dramatically simplify interpretation of complex GC×GC-MS datasets. LECO’s integrated instrumentation—particularly the Pegasus BTX TOFMS—and software platforms together provide a powerful toolkit for fuel characterization, quality evaluation, and differentiation of emerging alternative aviation fuels. By combining comprehensive chromatography with robust statistical approaches, researchers can gain deeper insights into chemical variability, production signatures, and additive packages in modern aviation fuel technologies.<h3>3. Shimadzu: Analysis of Formic Acid in Acetone Using GC/MS System</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00957_en_e8b083b86e.pdf">Full PDF for download</a></li></ul>In research on artificial photosynthesis, the analysis of impurities in chemical products and raw materials has increased the demand for high-sensitivity analysis of formic acid. Previous examples of formic acid analysis using GC-BID and GC-FID (Jetanizer ) have been presented, but in this article high-sensitivity analysis of formic acid using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> (see Fig. 1) isintroduced.<h4>Insert, Column Phosphoric Acid Treatment&nbsp;</h4>Formic acid is known to adsorb onto the injection port and column, making peak detection difficult. However, by performing phosphoric acid treatment on the glass insert and column before measurement, good peaks can be obtained. The procedure for phosphoric acid treatment of the glass insert is shown in Fig. 2, and the procedure for phosphoric acid treatment of the column isshown in Fig. 3.<h4>Conclusion&nbsp;</h4>By performing phosphoric acid treatment on the insert and column, it became possible to analyze formic acid in SIM mode down to 0.2 ppm. Furthermore, good results could be obtained for both linearity and repeatability. Additionally, by analyzing in Scan mode, identification of unknown peaks other than formic acid was also achieved.<h3>4. Thermo Fisher Scientific: Uninterrupted analysis of VOCs according to U.S. EPA Method 8260C using purge and trap and single quadrupole GC-MS technology</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_001018_gc_voc_analysis_gc_ms_epa_8260c_an001018_na_en_269857401c/an-001018-gc-voc-analysis-gc-ms-epa-8260c-an001018-na-en.pdf">Full PDF for download</a></li></ul>Volatile organic compounds, or VOCs, are human-made contaminants used and produced in the processing of, or as, paints, adhesives, petroleum products, pharmaceuticals, and refrigerants. Many of these compounds contaminate our environment and may cause negative health effects in humans and other living beings. Analytical laboratories must monitor a variety of sample types from the environment to ensure the public are not exposed to elevated levels of VOCs. The latest version of applicable method in the United States, U.S. EPA Method 8260C, is applicable when monitoring a variety of solid waste matrices for the presence of VOCs.To perform U.S. EPA Method 8260C, all method acceptance criteria must be achieved. These criteria include calculating the mean response factor and the relative standard deviation (RSD) of the response factors for target analytes. The RSD should be &lt;20%, with minimum response factors (RF) and MDLs for a wide range of target compounds. The analytical method must produce consistent results and be reproducible from day to day, with a continuing calibration verification (CCV) analyzed every 12 hours while samples are run. As the method covers varying matrices, it is important that the performance criteria are met in all samples of interest. The following evaluation describes the use of the ISQ 7610 GCMS coupled to the Atomx XYZ P&amp;T for U.S. EPA Method 8260C.<h4>Experimental</h4><h5>Instrument control and data processing&nbsp;</h5>Data were acquired, processed, and reported using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Chromeleon CDS software</a>, version 7.2. This software can control both the GC-MS system and the Tekmar Atomx XYZ P&amp;T. This enables a single software solution to support the full workflow, simplifying the instrument operation. The optimized method used within this application note is available for download via the Thermo Scientific™ AppsLab library. AppsLab contains all the parameters needed to acquire, process, and report the analytical data for U.S. EPA Method 8260C.2<h5>GC-MS parameters&nbsp;</h5>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486">TRACE 1610 GC</a> was coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ 7610 MS </a>equipped with the Thermo Scientific™ NeverVent™ vacuum probe interlock (VPI) and an ExtractaBrite™ ion source. Expanded method parameters for the GC-MS system are displayed in Table 3<h4>Conclusion&nbsp;</h4>The combined analytical solution with the TRACE 1610 GC coupled with the ISQ 7610 system and the Atomx XYZ P&amp;T system provides clear advantages for analytical testing laboratories that analyze environmental samples following the U.S. EPA Method 8260C requirements. The modularity of the TRACE 1610 GC as well as the ISQ 7610 VPI and ExtractaBrite ion source allows users to easily service the injection ports and to exchange ionization sources and analytical columns without venting the mass spectrometer, significantly reducing instrument downtime and minimizing sample analysis interruptions. The Atomx XYZ concentrator’s efficient trap cooling design reduces sample cycle time and allows for increased sample throughput. The moisture control system improves water vapor removal thereby reducing peak interference and increasing GC column life span.&nbsp;The experiments performed clearly demonstrate the suitability of this analytical configuration for the analysis of VOCs in various environmental samples in accordance with U.S. EPA Method 8260C with the following performance parameters as evidence:&nbsp;<ul><li>The ISQ 7610 VPI coupled with the Tekmar Atomx XYZ P&amp;T exceeds all the requirements outlined in U.S. EPA Method 8260C for analysis of VOCs in wastewater and solid waste.</li><li>Linearity was achieved with &lt;20%,&nbsp;relative standard deviation for both water and soil calibration curves for the majority of compounds.&nbsp;</li><li>The MDL and precision were assessed using n=7 replicates of a 0.2 ppb water standard and n=7 replicates of a 0.5 ppb soil standard. Calculated MDLs were &lt;0.2ppb and RSDs of calculated results were &lt;10% for most compounds in both the soil and water matrices.</li><li>System robustness was tested by continuously acquiring 240 injections of environmental samples over three days with no user intervention at all. The average %RSD of the calculated concentration was 8.30% with an average compound recovery of 90%.</li></ul>

News from LabRulezGCMS Library - Week 49, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 8th December 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 and Thermo Fisher Scientific and other document by Shimadzu!<h3>1. Agilent Technologies: High-Precision Determination of Four Greenhouse Gases in the Atmosphere Using the Agilent 8890 GC</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_monitoring_greenhouse_gas_8890_gc_5994_8744en_agilent_0e08f0909f.pdf">Full PDF for download</a></li></ul>Currently, China is actively implementing dual-control measures on total energy consumption and intensity. The Ministry of Ecology and Environment issued "The 14th Five-Year Plan for Ecological and Environmental Monitoring", which specifically highlights the advancement of technologies for direct measurement of carbon emissions. It calls for organizing pilot projects in multiple key industries and enterprises to monitor greenhouse gas emissions such as carbon dioxide and methane, establishing greenhouse gas monitoring networks in key cities, and upgrading the greenhouse gas monitoring capabilities of national atmospheric background stations. As a result, conducting greenhouse gas monitoring within the environmental protection stations of provinces and cities has become a critical task.The use of GC for detecting greenhouse gases has a long history. The conventional methods used gas sampling valve for injection, TCD and FID for sequential detection of CO2 and CH4 , or combining a methanizer with an FID to detect CO2 and CH4 in one analytical channel and detecting N2O on ECD in another analytical channel.2 The analytical precision for CO2, CH4, and N2 O achieved with such configurations typically ranges from 0.2% to 0.5%, but it is difficult to obtain precision better than 0.1%, which does not meet the current requirements for greenhouse gas monitoring accuracy and precision. Moreover, the traditional methods rarely report analytical precision for SF6 at ppt concentration levels. To monitor trace levels of CO2 , CH4, N2O, and ultratrace levels of SF6 on the same GC system with high-precision results, it is necessary to optimize multiple factors included in sample injection, separation, and detection. Furthermore, the system configuration must be flexible enough to allow expansion for future analytical needs, such as incorporating trace CO analysis in air. This work demonstrates how the 8890&nbsp;GC achieves high-precision analysis of four key greenhouse gases by optimizing the injection volume, controlling injection reproducibility, and utilizing multichannel separation and high-sensitivity detectors to ensure the system runs stably in long‑term operation.<h4>Experimental</h4><h5>Instrumental&nbsp;</h5>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC">8890 GC</a> is configured as a three-channel/multivalve/multicolumn system, enabling independent analysis of four greenhouse gases—CH4 , CO2 , N2O, and SF6 —within 8 minutes using a single injection. The target compounds are analyzed in separate channels, reducing chromatographic peak broadening and thereby improving sensitivity and&nbsp;repeatability.&nbsp;<ul><li>For CO2 analysis, a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=methanizer">methanizer</a> is used to convert CO2 to CH4 , which is then detected by FID. The system eliminates the need for dehydration through backflushing and venting operation via switching valves, preventing interference from moisture and oxygen in the air and extending the lifespan of the methanizer.&nbsp;</li><li>For N2O and SF6 analysis, the ECD with hidden anode design is used for high‑sensitivity detection and strong anti‑contaminant capability.&nbsp;</li><li>The CH4 analysis is conducted on a single column with a dedicated large injection loop, significantly enhancing detection sensitivity and repeatability, achieving a detection limit for methane as low as single-digit ppb levels.</li></ul><h4>Conclusion&nbsp;</h4>Based on its exceptional pneumatic control and valve-based flow path design, the multivalve/multicolumn Agilent 8890 GC system achieves high-sensitivity and high-precision measurements of four key greenhouse gases. This is accomplished through optimized and precise control of sample flow rate/volume, selection of premium analytical columns, and the use of highly stable and robust FID and ECD. Standard gas samples of CO2 , CH4 , N2 O, and SF6 , with concentrations equivalent to atmospheric levels, were measured continuously 10 times. The measurement precision for these gases was better than 0.05%, 0.1%, 0.1%, and 0.5%, respectively, fully meeting the high-precision monitoring requirements of environmental monitoring stations at various levels for target greenhouse gases. Compared to other monitoring solutions, this approach is based on a stable and reliable gas chromatography platform that is technically easier to master and deploy. It represents a trusted solution developed by Agilent to assist in establishing a greenhouse gas monitoring network in China.<h3>2. Shimadzu: GC/MS Mass Spectra Library - Polymer Additives Library Ver.2</h3><ul><li>Other document</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c146_e506_d4c93c4d60.pdf">Full PDF for download</a></li></ul><h4>Contains Approximately 5,800 Mass Spectra&nbsp;</h4>This library consists of a library*, which contains 5,775 mass spectra for 590 types of polymer additives and GC/MS pyrolysates from the pyrolysis GC/MS analysis of additives, and a library containing the mass spectra for 65 compounds often targeted for analysis, selected based on their usage in the commercial market, and chemical substance regulatory information. In total, this product contains 5,840 mass spectra, which provides strong support for the analysis of polymer additives. In Ver.2, the compound registration has been newly enhanced, for example vulcanizing accelerators utilized in the rubber filed. Approximately 1,000 spectra have been added.&nbsp;*ADD-MS22B F-Search Additives Library from Frontier Laboratories<h4>Can Be Used with a Variety of GC/MS Systems&nbsp;</h4>The library can be used for a variety of GC/MS applications, including pyrolysis GC/MS, which is widely used for the analysis of additives in polymer materials, and liquid sample injection GC/MS. It supports a wide range of additive analysis for customers.<h4>Library Specifications</h4><ul><li>Registered compounds: 5,775+65&nbsp;</li><li>Registered information: Mass spectrum, retention index for each analytical condition, compound name, molecular weight, compositional formula, structural formula, classification of additives</li><li>Applicable models: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2050">GCMS-QP™ serie</a>s, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8050">GCMS-TQ™ series</a> (This library does not include MS/MS spectra.)&nbsp;</li><li>Pyrolyzer (Pyrolysis analysis system): <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=43&amp;search=PY-2020D">PY-2020D</a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=43&amp;search=PY-2020iD">PY-2020iD</a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=43&amp;search=EGA%2FPY-3030D">EGA/PY-3030D</a></li><li>Workstations: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMSsolution">GCMSsolution</a>™ Ver. 4.6 and later, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=LabSolutions+GCMS">LabSolutions™ GCMS</a>™ Ver. 5.131 and later, LabSolutions DB/CS GCMS Ver. 6.131 and later</li></ul><h3>3. Thermo Fisher Scientific: Trace analysis of epichlorohydrin in drinking water using GC-MS coupled with purge and trap</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003894_gc_single_quad_isq_7610_environmental_an003894_na_en_70123385ae.pdf">Full PDF for download</a></li></ul>Epichlorohydrin (ECH) is a versatile starting material in the production of drugs and polymers and is also used as an insect fumigant and solvent for organic synthesis reactions. ECH-based polymer pipes are commonly used in the production of drinking water due to their durability and resistance to corrosion. However, ECH is known for its high reactivity and toxicity, which poses significant health risks if it contaminates drinking water. Exposure to ECH can cause respiratory issues, skin irritation, and has been classified as a probable human carcinogen.1Due to these risks, many countries have imposed strict limits on the amount of ECH allowed in drinking water. Recently, Europe set a minimum detection limit (MDL) of 30 parts per trillion (ppt) for ECH in drinking water.2 Whereas typically required detection limits for most compounds mandated for analysis in Europe can be achieved using methods based on static headspace, the stringent MDL required for ECH requires preconcentration, for example using purge and trap (P&amp;T) technology.3,4 This technology involves purging the water sample with an inert gas to release volatile organic compounds (VOCs), which are then trapped and concentrated for analysis, ensuring reliable detection at very low concentrations. In the United States, the analysis of VOCs in drinking water is mandated by the Environmental Protection Agency (EPA). The EPA requires the use of P&amp;T technology for drinking water analysis to ensure that even trace amounts of harmful compounds like ECH are detected and managed appropriately.&nbsp;The following evaluation describes the use of the ISQ 7610 Single Quadrupole MS system coupled with the Thermo Scientific™ TRACE™ 1610 GC with the Thermo Scientific™ HeSaver-H2 Safer™ split/splitless injector and Teledyne LABS Tekmar Lumin P&amp;T concentrator combined with the AQUATek LVA autosampler for the analysis of ECH in drinking water.<h4>Experimental</h4><h5>GC-MS parameters&nbsp;</h5>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486">TRACE 1610 GC</a> was coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ 7610 MS</a> equipped with the Thermo Scientific™ NeverVent ™ vacuum probe interlock (VPI) and an ExtractaBrite ion source. A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1773">Thermo Scientific™ TraceGOLD™ TG-VMS column</a>, 30 m × 0.25 mm, 1.4 µm film (P/N 26080-3320) was used for compound separation. The HeSaver-H2 Safer SSL injector was utilized to reduce the carrier gas consumption by decoupling the gas used for the chromatographic separation from the gas used to pressurize the inlet and maintain split and purge flows. The critical separations were maintained with a run time of under 15 minutes.For this analysis, the ISQ 7610 MS was operated in Selected Ion Monitoring (SIM) mode for increased selectivity, as required for this application. Extended method parameters for the ISQ 7610 MS are shown in Table 2.<h5>Instrument control and data processing&nbsp;</h5>Data was acquired, processed, and reported using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</a>. This software can control both the GC-MS system and the Tekmar Lumin P&amp;T with the AQUATek LVA. This allows a single software to be utilized for the full workflow, simplifying the instrument operation. This application note is available for download via the Thermo Scientific™ AppsLab Library, which contains all the parameters needed to acquire, process, and report the analytical data for analysis of ECH.5<h4>Conclusion&nbsp;</h4>This study demonstrates the capability of the Tekmar Lumin P&amp;T with the AQUATek LVA system connected to the ISQ 7610 Single Quadrupole GC-MS to detect and quantify low-level ECH in drinking water samples, in compliance with EPA requirements.&nbsp;<ul><li>Utilizing the Tekmar Lumin P&amp;T’s ability to purge with nitrogen, along with using the HeSaver-H₂Safer SSL injector, nearly four times less helium was consumed during the analysis without sacrificing system performance.&nbsp;</li><li>The linearity of the calibration curve from 30 ppt to 5,000 ppt passed method requirements.</li><li>The application proved robust during an extended study with 20 samples of a 1,000 ppt ECH standard injected over a series of 124 injections, obtaining 4.4% precision and 118% accuracy of the recovery.</li></ul>

News from LabRulezGCMS Library - Week 50, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 2nd 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, BaySpec and Shimadzu and presentation by MDCW / JEOL!<h3>1. Agilent Technologies: Total Hydrocarbon Impurity Analysis in PEM Fuel Cell Grade Hydrogen Using the Agilent 8890 GC-FID System</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_hydrocarbon_impurity_analysis_pem_fuel_cell_8890_gcfid_5994_8935en_agilent_00a26949ef.pdf">Full PDF for download</a></li></ul>High-purity hydrogen is crucial for the optimal and long-term performance of fuel cells.&nbsp;Different than the industry grade hydrogen used for chemicals, refining, and metal processing, where small amounts of impurities are acceptable. Fuel cell hydrogen is required to meet the species-specific impurity limits described in the specifications. Such impurities include hydrocarbons, sulfur-containing compounds, ammonia, permanent gases, halogens, and formaldehyde. Each group of compounds has its own regulation limit. The limits are defined based on their impact on the fuel cell lifetime and performance. ISO 14687 and SAE J2719 are the most recognized standards for regulation of fuel cell hydrogen quality.&nbsp;Multiple testing points are implemented throughout the whole supply chain of fuel cell grade hydrogen—from its production, storage, and distribution to its final application. The analytical approaches employed depend on the impurity type and the corresponding limit. Among the varied contaminants, hydrocarbon impurity is controlled based on THC amount (excluding methane because it has a separate specific limit) and the quality limit as specified in ISO 14687 and SAE J2719 (2&nbsp;ppm).&nbsp;There are two ways to analyze THCs in hydrogen. One is to separate and detect each hydrocarbon, then add their concentrations to get the THC amount (excluding methane). This analytical approach is recommended by the GB/T 44238-2024 test method.1 The other way is by eluting all hydrocarbons as a single peak and quantitating the peak according to methane's response factor (RF). The total THC is then obtained by subtracting the methane amount, which is analyzed by a separate method.In this application note, THC impurity was tested using the second approach. An Agilent 8890 GC with FID system were used for THC analysis, and the Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=990+Micro+GC">990 Micro GC</a> was used for methane measurement. The methane analysis solution is published in application note 5994-8830EN.2 Here, we will showcase THC analysis using the 8890 GC-FID system.&nbsp;<h4>Experimental&nbsp;</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">8890 GC</a> is configured with one gas sampling valve, a split/splitless (S/SL) inlet, and a flame ionization detector (FID), as shown in Figure 1. The fixed volume of gas sample is injected into the S/SL inlet and part of the sample flows into an uncoated capillary column, then elutes off as a single peak for detection. Table 1 lists experimental conditions for the analysis. The standard gases shown in Table 2 are used to verify system precision, generate methane's RF, and calculate method detection limit (MDL).<h4>Conclusion&nbsp;</h4>This application note demonstrates THC&nbsp;analysis in fuel cell hydrogen using the Agilent 8890 GC-FID system. The hydrocarbons eluted as a single peak on an uncoated column and were quantitated using methane's RF. The method repeatability and reproducibility were around 2%. Method accuracy was better than 120%. The MDL was 0.97&nbsp;ppm. All results met the analytical requirements of regulating THC in fuel cell grade hydrogen according to SAE&nbsp;J2719 and ISO 14687.&nbsp;The applied analytical approach requires methane analysis by a separate method, which can be realized using the Agilent 990 Micro GC or using a coated column followed by FID detection on another channel of the 8890 GC system.<h3>2. BaySpec: Rapid Detection of Trace Levels of Deoxynivalenol in Wheat Flour by Portable Miniature Linear Ion Trap Mass Spectrometry</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_MS_Portability_In_Wheat_Quality_04959a96bd.pdf">Full PDF for download</a></li></ul>Deoxynivalenol (Cas:51481‐10‐8), also known as DON, is a trichothecene mycotoxin that is widely found in grains such as wheat, barley, and rice.&nbsp;&nbsp;The molecular structure of DON is provided in figure 1.&nbsp;&nbsp;DON is linked to two plant pathogens: Fusarium graminearum (wheat and corn), and Fusarium ear blight (corn only).&nbsp; &nbsp; DON inhibits the synthesis of DNA / RNA as well as protein synthesis at the ribosomal level, ultimately resulting in the loss of yield and contamination of seeds.&nbsp;&nbsp;An acute dose of DON can induce vomiting (emesis) in pigs, whereas at lower concentrations in the diet, it reduces growth and feed consumption (anorexia).1&nbsp;The U.S. FDA has established DON advisory levels to provide safe food and feed at concentrations of &lt; 10 ppm to &lt; 1 ppm depending on application.2Because DON is difficult to derivatize, this compound is typically analyzed via thin‐layer chromatography (TLC) or high performance liquid chromatography (HPLC).3 While TLC is simple, fast, and economical, this analytical technique does not provide high accuracy nor consistent results on a day‐to‐day basis.&nbsp;&nbsp;HPLC improves on accuracy and consistency but requires large quantities of costly solvents and produces large volumes of hazardous waste.&nbsp;&nbsp; Depending on sampling requirements and system performance, the annual maintenance costs for a standard HPLC instrument can run ~$10‐20k per year.4 &nbsp;&nbsp; Furthermore, although HPLC systems can be easy to use when properly configured, a trained professional is typically needed for troubleshooting, maintenance, and developing new methods.Two samples were analyzed in a recent case study for an agricultural firm based in Canada.&nbsp;&nbsp;&nbsp;One sample contained 200 mg of wheat powder, while the other sample was 1 mg of the pure DON compound. Measurements were taken on a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219">BaySpec PortabilityTM Mass Spectrometer</a> (Figure 2) with both thermal desorption (TD) electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) methods. Samples were tested “dry” either by probing the surface of the sample vials or by spreading the powder onto a clean surface and swabbing. An enlarged image of the sampling probe with a small amount of wheat powder is shown in Figure 3.<h3>3. MDCW / JEOL: Structural elucidation using GCxGC-TOFMS and machine learning for unknown metabolites in HeLa cell</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_7_Masaaki_Ubukata_2_56a67fdf00.pdf">Full PDF for download</a></li></ul>The presentation by Masaaki Ubukata focuses on advancing structural elucidation of unknown metabolites in HeLa cells using comprehensive two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2-13-3-5&amp;mainauthorItems=23">GC×GC-HRTOFMS</a>) and machine learning. The work addresses a major limitation in metabolomics: while GC-MS offers highly reproducible EI fragmentation and strong library support, only a tiny fraction of known chemical space is represented in standard databases such as NIST (about 0.3% of compounds). To overcome this gap, the team developed an AI-based approach capable of predicting EI mass spectra and retention indices for over 200 million compounds, creating a large in-silico spectral library for unknown identification.The workflow integrates accurate mass measurements from GC-HRTOFMS with both electron ionization (EI) and soft ionization data. Molecular formulas are first determined using isotopic patterns and fragment ion accuracy, then candidate structures are narrowed using predicted retention indices and compared against AI-predicted EI spectra ranked by cosine similarity. Model performance has steadily improved, reaching an average cosine similarity of 0.86, with correct structures ranked first in 56% of evaluation cases and within the top 10 in 87% of cases. This demonstrates strong capability for resolving unknown compounds beyond conventional library searches.The approach was applied to HeLa cell metabolomics, a well-established human cell model. Using GC×GC separation, more than 800 metabolites were detected. Importantly, the system successfully identified N-methyl-uridine monophosphate (N-methyl UMP), a biologically relevant RNA-modification-related metabolite not registered in the NIST database. After molecular formula determination and AI ranking, N-methyl UMP was identified as the top candidate among 53 structural isomers sharing the same formula, demonstrating the practical strength of combining high-resolution MS, soft ionization, and AI-based spectral prediction.In conclusion, the study highlights the synergistic power of three technologies: high-resolution GC-TOFMS, soft ionization techniques, and AI-driven structural analysis. Together, they significantly enhance the identification of unknown metabolites in non-targeted metabolomics and provide a scalable solution for exploring chemical space far beyond existing experimental spectral libraries.<h3>4. Shimadzu: Analysis of Aroma Components in Apples Using the Smart Aroma Database</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01016_en_e989b26b7f.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>The Smart Aroma Database enables straightforward qualitative analysis of aroma components.</li><li>The HS-20 NX headspace sampler allows for high-sensitivity and convenient analysis of the aroma components in fresh apples.</li><li>Multivariate analysis facilitates an objective evaluation of aroma component differences between samples.</li></ul>The aroma components of fruits are one of the key factors that determine their flavor and taste, serving as a significant criterion for consumers when choosing fruits. These aroma components vary based on the type and variety of the fruit, its ripeness, production area, and cultivation environment. The complex interplay of these factors shapes the unique flavors of individual fruits. Therefore, the analysis of aroma components plays an important role in quality control and the development of new fruit varieties. The compounds that make up the aroma of fruits are diverse, including both volatile and non-volatile components, and their numbers can range from dozens to hundreds. These components, which include alcohols, esters, ketones, and acids, possess various chemical structures and contribute to the aroma of the fruit. Gas chromatography mass spectrometry (GC/MS) offers an effective method for objectively evaluating the relationship between aroma and aroma components. This article describes an example of analyzing the aroma components in apples using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> gas chromatograph mass spectrometer in combination with an<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS20+NX"> HS20 NX headspace sampler</a> (Fig. 1).<h4>Multivariate Analysis&nbsp;</h4>Three types of apples, with five samples each (for a total of 15 samples), were measured once. The obtained data were analyzed using SIMCA17 multivariate data analysis software (Informatics Co., Ltd.) to perform principal component analysis (PCA) and hierarchical clustering analysis. The PCA score plot (Fig. 2), loading plot (Fig. 3), and the dendrogram from the hierarchical clustering analysis (Fig. 4) are shown.&nbsp;Based on the PCA score plot, the contribution rate of the first principal component (horizontal axis) is 85.6 %, and the contribution rate of the second principal component (vertical axis) is 10.2 %, totaling 95.8 %. The clear separation of the plots by apple type indicates that there are differences in the aroma of the three varieties. Additionally, the results of the hierarchical clustering analysis show that Jonagold (A) and (B) have relatively similar compositions of aroma components.&nbsp;Table 3 shows the aroma components that are relatively abundant in Jonagold (A) along with the sensory information for each aroma component registered in the Smart Aroma Database.<h4>Conclusion&nbsp;</h4>We analyzed the aroma components of three types of commercially available apples using a GCMS-QP2050 gas chromatograph mass spectrometer. By utilizing an HS-20 NX headspace sampler, we were able to analyze the aroma components of fresh apples with high sensitivity, and the Smart Aroma Database made the process convenient.&nbsp;We consider that scientifically analyzing the differences in aroma components based on factors such as fruit type, variety, ripeness, production area, and cultivation environment is beneficial for quality management and the development of new varieties.

News from LabRulezGCMS Library - Week 10, 2026

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Thermo Fisher Scientific Mass Spectrometry Users’ Meetings 2026

LECO Training Course GDS900/950 & CDP

Thermo Fisher Scientific Analytical solutions forum

Validated Method for PFAS Testing in Food, Including Meats

Confidence in PFAS Data: Smarter Sample Prep, Contamination Control, Highly Sensitive and Robust MS

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