Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 15th July 2024? Check out new documents from the field of gas phase, especially GC and GC/MS techniques!
<blockquote>
<h4>👉 <a href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you poster presentations from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by LECO, Agilent Technologies, Shimadzu, and Thermo Fisher Scientific!
<h4>1. LECO: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Environmental_Samples_HRT_G_Cx_GC_TOFMS_Multi_Mode_Source_DA_ASMS_24_LPSS_328_6ce93525c3.pdf">Non-Targeted Analysis of Complex Environmental Samples Using Thermal Desorption, Multidimensional Gas Chromatography, Multi-Mode Ionization Methods, and High-Resolution Time-of-Flight Mass Spectrometry</a></h4>
<ul>
<li>poster - ASMS 2024</li>
</ul>
Introduction
<ul>
<li>Confident analysis of environmental samples (e.g., air, water, dust/soil) is critical for the monitoring of harmful substances such as persistent organic pollutants</li>
<li>Many of these harmful chemical substances have been classified as carcinogens and endocrine disruptors</li>
<li>Study Objective: To use GCxGC-HRTOFMS for the analysis of complex environmental samples.</li>
</ul>
Challenge: Complex environmental samples are difficult to analyze
<ul>
<li>Very large number of sample constituents</li>
<li>Wide concentration range</li>
<li>Varying physiochemical properties</li>
</ul>
Summary:
<ul>
<li>HRT and MMS technology are powerful tools for the analysis of complex environmental samples (dust, food, air)</li>
<li>Compounds were annotated using:<ul>
<li>Database comparisons</li>
<li>Formula determinations using high-resolution accurate mass ions</li>
<li>Chemical ionization data resulted in increased confidence for compound annotation</li>
</ul>
</li>
</ul>
<h4>2. Agilent Technologies: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_5977c_mh_method_translator_epa_1628_asms_2024_thp331_en_agilent_400389553c.pdf">Two Methods to Perform the New US EPA Method 1628 with GC/MSD: Traditional Helium Carrier Gas and Hydrogen Carrier Gas</a></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
Introduction: Polychlorinated Biphenyl (PCBs) and the Environment 
Polychlorinated Biphenyls (PCBs) are synthesized compounds that belong to the chlorinated hydrocarbon family of compounds. PCBs were used in a variety of industrial applications such as electrical components, plasticizers and pigments/dyes, until they were banned in 1979 by the Toxic Substances Control Act (TSCA)1. PCBs are considered to persistent organic pollutants (POPs) as they do not easily degrade in the environment. PCBs, which are classified as probable human carcinogens, can be found in the air, water, and soil and have been known to bioaccumulate in marine life. Overall, users of this whole validated procedure profit from easy and standardized handling, the precise determination of the analytes, automatic eluent roduction, calibration, and results calculation, low maintenance, and a single-manufacturer setup.
Conclusions: Two Robust methods for EPA Method 1628 was developed to analyze 209 native and 35 labeled PCB Congeners
<ul>
<li>Using EPA Method 1628 guidelines and requirements, a robust method was developed with helium carrier gas.</li>
<li>Using MassHunter method translator, a faster method that meets EPA Method 1628 guidelines was developed using Hydrogen carrier gas.</li>
<li>Both methods can detect and quantitate PCB compound down to the single digit ppb levels.</li>
</ul>
<h4>3. Agilent Technologies: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_gcxgc_rfm_essential_oils_asms_2024_thp332_en_agilent_55394464d2.pdf">Analysis of Essential Oils Using a Comprehensive GCxGC with a Reverse Flow Modulator Combined with High Resolution GC/MS</a></h4>
<ul>
<li>poster - ASMS 2024</li>
</ul>
Introduction: Essential oils are typically analyzed to determine their chemical composition contributing to flavor and quality as well as to evaluate their authenticity and identify adulterants. Essential oils are often complex samples with high number of volatile and semi-volatile components that include many isomers with highly similar spectra and close Retention Indices (RIs) when separated on a single column. Hence, a comprehensive GCxGC approach is preferable to achieve an appropriate chromatographic separation for this sample matrix. In this study we used comprehensive GCxGC coupled to a high-resolution accurate mass GC/MS to identify the essential oil components. Here we also investigate approaches for comparison of the complex GCxGC essential oil data.
Conclusions:
<ul>
<li>Several comprehensive GCxGC configurations and method using the high-resolution GC/Q-TOF and RFM were developed and optimized using a diesel sample.</li>
<li>Essential oils were analyzed using the optimized GCxGC approach, and the workflows for compound identification and statistical analysis were evaluated.</li>
</ul>
<h4>4. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/MP_205_GC_3_Deferiprone_ASMS_GC_poster_ba23d98e92.pdf">Ultra-sensitive dynamic headspace GC-MS/MS method for trace level quantitation of Nitrosamines in Deferiprone API</a></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
Introduction: Regulatory bodies related to pharmaceutical industry have extensively investigated the presence of genotoxic impurities, called Nitrosamines (NSA), in many drugs. Deferiprone is an iron chelator used to treat patients with transfusional iron overload caused by thalassemia syndromes. This drug is admired in high dose with long term treatment. Hence it is imperative to make Deferiprone drug available with safe levels of NSA. 
Pharmaceutical drug product which contains Deferiprone, is supposed to consume for a longer time. Maximum daily intake is of 99 mg/kg/day. Considering worst case scenario, calculated Maximum Daily Dose (MDD) will be 9000 mg/day when weight of the patient as 90 kg. Hence, it is imperative to determine NSA with Limit of Quantitation (LOQ) &lt; 0.1 ppb. Limits were calculated as per MDD of 9000 mg / day and reported in Table-1 with established LOQ’s for each NSA impurity. Developing method for determining total NSA at such low level in Active Pharmaceutical Ingredient (API) &amp; Finish Dosage Form (FDF) creates challenges in pharmaceutical industry.
This poster describes a validated dynamic headspace GC-MS/MS procedure for quantification of various NSAs like N-nitroso-dimethylamine (NDMA), N-nitroso-diethylamine (NDEA), N-nitroso-ethylisopropylamine (NEIPA), N-nitroso-diisopropylamine (NDIPA), N-nitroso-dipropylamine (NDPA), and Nnitroso-dibutylamine (NDBA) in Deferiprone Active Pharmaceutical Ingredient (API). 
Conclusion:
<ul>
<li>Dynamic headspace mode, seamlessly meet the current regulatory limits, delivering high sensitivity compared to static headspace as well as liquid injection mode for nitrosamines analysis.</li>
<li>Shimadzu GCMS-TQ8050 NX has features like a highly efficient shielded detector and superior noise reduction technology enhances sensitivity and enables quantitation of nitrosamines even at trace levels.</li>
</ul>
<h4>5. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/MP_206_GC_4_E_L_ASMS_GC_poster_b9636fc55a.pdf">Simultaneous determination of known and unknown Extractables in pharmaceuticals packaging material by tandem mass spectrometry using Scan-MRM mode</a></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
Introduction: The purpose of Extractable &amp; Leachable (E&amp;L) studies in the regulatory references, is to identify the traces of potential chemical substances. Because these substances may be harmful to patient due to their toxicity, or the activity of drug product may impact because of their presence. Hence, to ensure the safety and efficacy of the drug till its shelf-life period, E&amp;L study plays an important role. Extractables are organic or inorganic entities which are released from container closure system (CCS) into an extraction medium under laboratory condition. Whereas, leachable are the foreign organic or inorganic chemical substances which are present in the packaged drug product during normal as well as accelerated stability conditions.
Samples of CCS will be used for identification of extractables. However, packaged drug product sample will be used for the evaluation of leachable. Ophthalmic drug product packaging material was used for this study (Figure 1) and the analysis was carried out on Shimadzu triple quadrupole system GCMS-TQ8040 NX equipment (Figure 2).
Conclusion:
<ul>
<li>The migration of extractables from the CCS includes a wide range of compounds. Highly sensitive and robust techniques is required for detection at trace level. Also, Data need to be acquired in both SCAN and SIM/MRM modes to detect known and unknown extractables simultaneously without affecting sensitivity.</li>
<li>Shimadzu’s GCMS TQ-8040 NX triple quadrupole ultra fast mass spectrometer offers a SCAN speed of 20,000 amu/sec, 800 MRM transitions per second along with Advanced Scan Speed Protocol (ASSP) function, facilitates detection and identification extractables even at trace levels.</li>
</ul>
<h4>6. Thermo Fisher Scientific: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_141_helium_technology_quantitation_furans_gc_ms_po141_asms2024_en_3c83cf3bb0.pdf">Utilizing cost effective helium saving technology for low level quantitation of Polychlorinated dibenzo-p- dioxins/furans using gas chromatograph mass spectrometry</a></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<h5>Abstract</h5>
<ul>
<li>Purpose: To demonstrate high sensitivity and robustness of a cost-effective and sustainable Helium saving injector for the analysis of polychlorinated dibenzo-pdioxins/furans (PCDD/PCDF).</li>
<li>Methods: Sample analysis was carried out on the Thermo Scientific TSQ 9610 GC-MS/MS equipped with the new Thermo Scientific iConnect HeSaver-H2Safer split/splitless (SSL) injector. A sample volume of 1.5 μL was injected for chromatographic separation using a TG-Dioxin (60 m × 0.25 mm, 0.25 μm) capillary GC column with previously described conditions.1The GC-MS/MS system was equipped with an advanced electron ionization (AEI) source to increase sensitivity for analyte detection. Quantification was performed using isotopic dilution in Thermo Scientific Chromeleon Chromatography Data System software using the Dioxin Analyzer workflow.</li>
<li>Results: The He saver demonstrated excellent robustness, precision, and sensitivity for PCDD/F analysis in soil extracts (analyzed with no prior clean-up) at fg levels while consuming 8 times less helium compared to the standard SSL injector.</li>
</ul>

News from LabRulezGCMS Library Week 29, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 22nd July 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!
<blockquote>
<h4>👉 <a href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you poster presentations from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by LECO, Agilent Technologies, and Thermo Fisher Scientific! And as a bonus two application notes from Shimadzu and Thermo Fisher Scientific.
<blockquote>
💡 + 100 ASMS posters and presentations <a href="https://gcms.labrulez.com/library?mainauthorItems=284">available in the LabRulezGCMS library</a> (unique search and filtering)
</blockquote>
<h4>1. LECO: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Long_Lifetime_Ion_Detector_GC_G_Cx_GC_TOFMS_MS_ASMS_24_LPSS_326_4c9e1fb7a1.pdf">A Novel Long-Lifetime Ion Detector for GC-TOFMS and GCxGC-TOFMS with Sub-Femtogram Detection Limits</a></h4>
<ul>
<li>poster - ASMS 2024</li>
</ul>
Introduction: Ion detection efficiency and fast response times are critical aspects of the ion detectors used in time-of-flight mass spectrometry (TOFMS). With modern advancements in ionization, ion optics, and ion transfer efficiency, TOFMS systems are capable of generating high ion flux onto the ion detectors. Having an ion detector that is capable of maintaining optimal performance over a long period of time while accepting high amounts of ion flux is a significant challenge in development of TOFMS instrumentation. Improvements in detector life will minimize maintenance costs and improve TOFMS user experience. A novel long-lifetime ion detector was developed in partnership with El Mul Technologies for use in LECO’s Pegasus® BTX GC and GCxGCTOFMS. The system was thoroughly evaluated for sensitivity and robustness, including longevity of the detector.
Conclusions: The Pegasus BTX GC(GCxGC)-TOFMS with a novel Long-Lifetime Ion Detector has demonstrated the following performance characteristics:
<ul>
<li>Sub-2 fg IDL for GC-TOFMS and Sub-fg IDL for GCxGC-TOFMS </li>
<li>Linear dynamic range of 5 orders of magnitude in GC-TOFMS and 4 orders of magnitude in GCxGC-TOFMS</li>
<li>Robust operation: the detector bias remains consistent and BTX peak intensity remains consistent over long periods of time, even with large numbers of samples acquired and significant amounts of charge accumulation on the detector.</li>
</ul>
<h4>2. Thermo Fisher Scientific: <a href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/po_142_utilizing_hydrogen_pesticides_food_gc_ms_po142_asms2024_en_7ed0951b93.pdf">Utilizing hydrogen carrier gas for sensitive analysis of pesticides in food using gas chromatography mass spectrometry</a></h4>
<ul>
<li>poster - ASMS 2024</li>
</ul>
<h5>Abstract</h5>
Purpose: To demonstrate the performance of the Thermo Scientifc HeSaverH2Safer kit for iConnect split-splitless (SSL) injection module for trace analysis of pesticides using H2 as a carrier gas as a safe and sustainable solution for laboratory operations.
Methods: In this study, hydrogen was used as a carrier gas for GC-MS/MS analysis of trace levels of pesticides in food. The GC was fitted with a new hydrogen safer split/splitless injector, with chromatographic separation performed on a TG-5 SIL MS(30 m × 0.25 mm, 0.25 μm) capillary GC column. The chromatographic conditions applied ensured critical pair separation was achieved. The GC-MS/MS system was equipped.
<h5>Conclusions</h5>
<ul>
<li>The use of the HeSaver-H2Safer technology allows for a safe and compliant use of hydrogen as an alternative carrier gas in GC/GC-MS applications without the need to install a hydrogen sensor and removes any risk of unwanted reactions with the sample in the hot SSL injector.</li>
<li>When used with hydrogen, the limited carrier gas consumption offered by the HeSaverH2Safer mode permits a very controlled system demand for hydrogen, making this solution ideal for laboratories working with hydrogen generators.</li>
<li>Migrating the GC-MS/MS method from helium to hydrogen requires an adaptation of method parameters to address (i.e., retention time shift and different fragmentation patterns).</li>
<li>97% of pesticides in baby food and 98% in honey showed a linear response in the concentration range 0.005–0.500 mg/kg and the relative standard deviation for N=5 repeats of each sample type at 0.01 mg/kg was equal or lower than 10% for 98% of the evaluated compounds with an advanced electron ionization (AEI) source to increase sensitivity for analyte detection. Quantification and assessment of critical regulatory requirements, such as linearity and sensitivity, were performed in a single software.</li>
</ul>
<h4>3. Agilent Technologies: <a href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/po_142_utilizing_hydrogen_pesticides_food_gc_ms_po142_asms2024_en_7ed0951b93.pdf">Analyzing Nitrosamines with Hydrogen Carrier Gas: GC/MS/MS Analysis of Nitrosamines in Sartan Drugs</a></h4>
<ul>
<li>Poster Reprint - ASMS 2024</li>
</ul>
Introduction: The limited availability of helium has been a concern, leading to a growing interest in switching to alternative carrier gases like hydrogen. Hydrogen offers several advantages over helium1 , including faster run times and improved chromatographic resolution. Helium is commonly used as a carrier gas for analyzing nitrosamine impurities in pharmaceuticals. However, there are concerns that nitrosamines may react with hydrogen, forming unwanted byproducts. To ensure that using hydrogen as a carrier gas does not impact spectral quality, we evaluated its suitability for analyzing eight impurities:
<ul>
<li>N-nitrosodimethylamine (NDMA),</li>
<li>N-nitrosomethylethylamine (NMEA),</li>
<li>N-nitrosodiethylamine (NDEA),</li>
<li>N-nitroso-ethylisopropylamine (NEIPA),</li>
<li>N-nitrosodiisopropylamine (NDIPA),</li>
<li>N-Nitrosodipropylamine (NDPA),</li>
<li>N-nitrosodi-n-butylamine (NDBA),</li>
<li>N-Nitrosopiperidine (NPIP).</li>
</ul>
Hydrogen carrier gas was used with the 7000E and 7010 Series GC/TQ systems equipped with the HydroInert and HES ion sources respectively, assessing spectral quality, linearity, repeatability, recovery, and compliance with nitrosamine analysis regulations.
MassHunter 13 software suite provided the tools for data acquisition and processing to be performed under a unified compliance environment. OpenLab Electronic Content Management (ECM) XT includes native tools to facilitate compliance, including the ability to create users with affiliated permissions, the generation of audit trails, and remote data storage.
Conclusions:
<ul>
<li>The 7000E and 7010 Series GC/TQ systems equipped with the HydroInert and HES, respectively, exhibited exceptional performance in determining eight nitrosamine drug impurities in sartan drug products and substances using hydrogen carrier gas.</li>
<li>The method was validated at 30 ppb with acceptable recovery and long-term repeatability. </li>
<li>The 7010 Series GC/TQ system enabled a smooth switch between helium and hydrogen carrier gas without compromising the performance of the methods. </li>
<li>Both the HydroInert and the HES sources facilitated achieving the necessary detection limits for the tested impurities.</li>
</ul>
<h4>4. Agilent Technologies: <a href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/po_142_utilizing_hydrogen_pesticides_food_gc_ms_po142_asms2024_en_7ed0951b93.pdf">Analysis of Essential Oils Using a Comprehensive GCxGC with a Reverse Flow Modulator Combined with High Resolution GC/MS</a></h4>
<ul>
<li>Poster Reprint - ASMS 2024</li>
</ul>
Introduction: Essential oils are typically analyzed to determine their chemical composition contributing to flavor and quality as well as to evaluate their authenticity and identify adulterants. Essential oils are often complex samples with high number of volatile and semi-volatile components that include many isomers with highly similar spectra and close Retention Indices (RIs) when separated on a single column. Hence, a comprehensive GCxGC approach is preferable to achieve an appropriate chromatographic separation for this sample matrix. In this study we used comprehensive GCxGC coupled to a high-resolution accurate mass GC/MS to identify the essential oil components. Here we also investigate approaches for comparison of the complex GCxGC essential oil data.
Conclusions:
<ul>
<li>Several comprehensive GCxGC configurations and method using the high-resolution GC/Q-TOF and RFM were developed and optimized using a diesel sample. </li>
<li>Essential oils were analyzed using the optimized GCxGC approach, and the workflows for compound identification and statistical analysis were evaluated.</li>
</ul>
<h4>5. Shimadzu: <a href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/an_01_00746_en_e14cf49b7b.pdf">Greenhouse Gas Analyzer</a></h4>
<ul>
<li>Application</li>
</ul>
User Benefits:
<ul>
<li>Simultaneously measures the 3 main greenhouse gases: CH₄, CO₂, and N₂O.</li>
<li>Offers short analysis cycle times and is equipped with an AOC-6000 Plus syringe injection system to analyze large numbers of samples.</li>
<li>Uses nitrogen as a carrier gas for lower running costs.</li>
</ul>
Introduction: Greenhouse gases are a major cause of climate change, and carbon dioxide, (CO₂), methane (CH₄), and nitrous oxide (N₂O) are considered the 3 primary greenhouse gases. Although CO₂ accounts for the majority of greenhouse gas emissions followed by CH₄, reducing CH₄ emissions is considered important because CH₄ has a warming effect that is more than twenty times greater than CO₂. At the United Nations Climate Change Conference (COP26) in November 2021, over 100 countries joined the Global Methane Pledge, which pledges by 2030 to reduce global CH₄ emissions by 30 % compared to 2020 levels. The Greenhouse Gas Analyzer is a gas chromatography system that has been developed by Shimadzu in collaboration with the National Agriculture and Food Research Organization (NARO) (Fig. 1). Measuring levels of CH₄, CO₂, and N₂O simultaneously in a single sample is difficult, but the Greenhouse Gas Analyzer has been designed to do this simultaneously, which reduces analytical errors and improves the sampling speed, giving researchers a valuable tool in reducing greenhouse gas emissions.
This Application News describes using the Greenhouse Gas Analyzer to simultaneously measure CO₂, CH₄, and N₂O levels.
Conclusion: The Greenhouse Gas Analyzer can simultaneously measure 3 greenhouse gases in atmospheric air in a single analysis. Each analysis by the Greenhouse Gas Analyzer is performed in 8 minutes with an analysis cycle time of 10 minutes.
<h4>6. Thermo Fisher Scientific: <a href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/an_002695_gc_triplus_rsh_smart_sample_prep_environ_an002695_na_en_77a5aa2300.pdf">An automated approach for the analysis of VOCs in drinking and surface water by using the TriPlus RSH SMART VOC Sample Prep Station</a></h4>
<ul>
<li>Application - Environmental</li>
</ul>
Goal: The aim of this study is to demonstrate the suitability of the Thermo Scientific™ TriPlus™ RSH SMART VOC Sample Prep Station for the analysis of volatile organic compounds (VOCs) in drinking and surface water by using a fully automated sample preparation workflow.
Keywords: Automated sample preparation, TriPlus RSH SMART Sample Prep Station, volatile organic compounds, VOCs, drinking water, surface water, gas chromatography, TRACE 1610 GC, single quadrupole mass spectrometry, ISQ 7610 GC-MS.
Conclusions: The results of these experiments demonstrate that the automated sample preparation capability of the TriPlus RSH SMART VOC Sample Prep Station coupled to the ISQ 7610 GC-MS system provides an ideal solution for water testing laboratories looking to improve productivity and deliver confident results.
<ul>
<li>Static headspace is a convenient solventless extraction technique for volatiles in water with almost no sample preparation required. </li>
<li>Unattended operations of up to 210 samples can be achieved with the automated calibration dilution and ISTD addition workflows.</li>
<li>The automated addition of fresh reagent just before the incubation increases the stability of ISTD/surrogates mix, therefore improving the accuracy of the quantitation of target analytes during data reprocessing.</li>
<li>The TriPlus RSH SMART VOC Sample Prep Station ensures increased sample integrity for highly reliable quantitative analysis, and reduced errors or possible cross-contaminations, maximizing the productivity of the laboratory. Additionally, it allows saving valuable analyst time and improving safety by limiting the user’s exposure to toxic chemicals. </li>
<li>The integrated control for both autosampler and GC-MS in a single CDS ensures a streamlined automated workflow from on-line sample preparation to sequence setup, data acquisition, and reporting. </li>
<li>Suitability of headspace sampling for analysis of VOCs was demonstrated with R2 &gt; 0.990, RRF %RSD &lt; 20%, and calculated amount within 20% of the spiked concentration. </li>
<li>Inter-day reproducibility was demonstrated by running three batches of samples bracketed with QCs. Average absolute peak area %RSD across the entire evaluation period was &lt;20%, the QC calculated amount was within 20% of the expected value, and the calculated recovery was within 70–130%, with the only exception of 1,2-dibromo-3-chloropropane for which the % recovery was 132. </li>
<li>Reliable quantitative analysis was achieved for drinking water samples and surface water samples analyzed in three different batches across six working days. All the sample results were compliant with the thresholds set by the current EU regulation.</li>
</ul>

News from LabRulezGCMS Library - Week 30, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 5th August 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!
<blockquote>
<h4>👉 <a href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you applications and other documents by LECO, Agilent Technologies, Waters Corporation, and Shimadzu!
<h4>1. LECO: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Essential_Oil_Fragrance_Samples_BT_G_Cx_GC_Paradigm_Shift_SA_CK_ANALYTIKA_SA_24_LPSS_318_8458df1480.pdf">Non-Target Characterization of Complex Essential Oil and Fragrance Samples with GCxGC-MS/FID for Reliable Identification and Relative Quantitation in a Single Injection</a></h4>
<ul>
<li>poster / Analytica</li>
</ul>
Introduction: Essential oils are extracts from plant materials that capture the plant&#39;s scent and flavors. They have a broad range of applications, as they can be both a finished product and an ingredient or intermediate in the creation of other products. Due to this versatility, the analysis of essential oils is an important area of research with a variety of analytical objectives. 
Because flavors and fragrances are composed of tens or hundreds of ingredients, characterization of these individual species can be challenging. It is not practical to use numerous standards for the identification and quantification of all the individual species. Instead, it is common to use a workflow where MS provides identification and FID provides relative area % quantification, often with separate injections for each.
Additionally, two one-dimensional chromatographic separations with different stationary phases are also often required to isolate the individual compounds due to the complexity of these samples. Here, we demonstrate a possible improvement to this workflow by using a GCxGC-TOFMS/FID instrument that provides reliable identification and relative quantitation in a single injection. GCxGC provides enhanced chromatographic separation of individual analytes, thus removing the requirement for two separate 1D analyses. Coupling this with dual MS and FID detection enables both identification via the FID in one single injection.
Conclusion: Harnessing the power of a TOFMS coupled with a GCxGC platform and an FID allowed us to not only determine the presence and amounts of targeted analytes, but also discover non-target analytes.
This platform, based on GCxGC-TOFMS/FID, can improve workflows in your industry.
<h4>2. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00788_en_8355bce383.pdf">Comprehensive Characterization of Diesel Fuel on GC×GC Utilizing Impressive High-Speed Scan Technology of GCMS-QP2050</a></h4>
<ul>
<li>Application</li>
</ul>
User Benefits
<ul>
<li>Comprehensive characterization of complex matrices such as diesel fuel is possible with 2D gas chromatography.</li>
<li>The impressive high-speed scan technology of GCMS-QP2050 allows for effective peak separation.</li>
<li>Intuitive comprehension of compounds distribution can be achieved with displaying the data in a two-dimensional image.</li>
</ul>
Introduction: Kerosene, diesel, and other petroleum products are mixtures containing over 100 different hydrocarbons. The properties of petroleum products, such as ignitability and viscosity, depend on their composition and greatly affect physical properties like combustion. Comprehensive two-dimensional gas chromatography (GC×GC) offers high separation performance by utilizing two different columns, which provides more reliable compositional information for complex mixtures compared to one-dimensional chromatography. In this application, qualitative analysis of diesel fuel using a GC×GC system with GCMS-QP2050 that is capable of high-speed scanning (30,000 u/sec) was conducted. No less than 30,000 u/sec scanning speed improved the separation of peaks that are too close to each other and enabled accurate identification of compounds.
Conclusion: Diesel, a complex mixture of hydrocarbons, was measured using GC×GC-MS. Each component on the two-dimensional image showed characteristic distribution based on its molecular structure, allowing for intuitively understanding of the composition of diesel. Additionally, GC×GC-MS demonstrated Excellentseparation performance for components, enabling more reliable identification of components of diesel compared to 1D GC-MS. The high-speed scan of GCMS-QP2050 (30,000 u/sec) contributesto more precise qualification analysis.
<h4>3. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_05_sca_280_108_en_d87677c8a2.pdf">Analysis of Trialkyl Phosphates as Markers for Lithium Battery Aging</a></h4>
<ul>
<li>Application</li>
</ul>
User Benefits
<ul>
<li>Lithium Batteries(LIB) decomposition and aging can be evaluated by monitoring Trialkyl Phosphates.</li>
<li>A routine and fast GCMS method for the detection of Trialkyl Phosphates was developed.</li>
<li>Trialkyl Phosphates can be detected with high sensitivity and selectivity in commercial liquid electrolytes</li>
</ul>
Introduction: The electrolyte solution is a crucial part of a typical Lithium-ion battery, consisting of Li salts (e.g. LiPF6), and organic carbonates. Decomposition and formation of phosphorous-based and other organic products starts already at the production stage of the electrolyte. The formation of such molecules does not affect the electrolyte/battery quality negatively, as long as the quantity is low enough. On the contrary, several decomposition products have a positive effect on the formation of the so-called SEI surface (Solid Electrolyte Interface) on the LIB anodes, which is crucial for the battery functionality. Nevertheless, this is a continuous chemical process and the increasing amount of some of the decomposition products is a clear indicator of the progressive aging of the battery/electrolyte. This application is demonstrating the GCMS analysis of Trialkyl Phosphates as reaction products of carbonates and LiPF6 salt. The choice of this compounds as markers for electrochemical battery aging is due to the fact, that their formation is very slow and depends only on a few external parameters, allowing to investigate the electrochemical aging (charge/discharge) by a simple comparison of before/after analyte content.
Conclusion: The presented application demonstrated the suitability of GCMS to investigate the aging of the LIBs using phosphatebased degradation products. This investigation is based on SCAN measurements. Here, a SCAN/SIM mode would be beneficial offering the possibility to detect the main compounds (carbonated, additives) and the degradation products in one measurement. A further improvement would be a dedicated SIM method for the mentioned phosphates with the highest selectivity and sensitivity.
<h4>4. Agilent Technologies: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_dithiocarbamate_pesticide_tea_gc_5994_7663en_agilent_78da56d0be.pdf">Analysis of Dithiocarbamate Pesticides in Tea Using GC/MS/MS</a></h4>
<ul>
<li>Application Note -Food Testing and Agriculture</li>
</ul>
Abstract: Dithiocarbamate pesticides are commonly used to control fungal diseases in ornamental plants and crops, and for control of tea gray blight. The residue definition for dithiocarbamate pesticides is expressed as total dithiocarbamate, determined as mg CS₂/kg. Methods for analysis of CS₂ use extraction of the sample into an acidified stannous chloride solution with isooctane, where the dithiocarbamate residues are converted to CS₂, which is captured in isooctane and analyzed by GC/MS. This application note describes the analysis of dithiocarbamate residues in tea using an Agilent GC/MS/MS in both SIM and MRM modes. A limit of quantification of 10 ppb was achieved in tea samples. Linearity was established in matrix-matched standards with R2 &gt; 0.999 for the range from 5 to 100 ppb, with average recoveries &gt; 85% at the 10 ppb level of fortification.
Conclusion: Analysis of dithiocarbamate pesticides as CS₂, using isooctane as a sample preparation solvent, can lead to the combination of a relatively high boiling solvent with low boiling analytes. Hot spitless injections result in poor peak shapes for CS₂; better peak shapes can be obtained with cold injection in split mode. Further improvement in peak shapes can be achieved by using a multibaffled liner. Matrixmatched calibration standards ranging from 5 to 100 ppb were used to assess calibration performance, with linearity established at R² &gt; 0.999 in both SIM and MS/MS modes. The method was validated following the criteria specified in SANTE 11312/2021v2, with the ability to detect CS₂ peaks down to 5 ppb using Agilent 7000D, 7000E, and 7010C GC/MS/MS instruments. Implementing a backflush method in the GC/MS analysis of tea samples can significantly improve the separation of target analytes from complex matrix components, enhancing sensitivity and throughput. Repeatability tests showed RSDs consistently below 4.2% for injections at 10 ppb concentration, indicating high precision and repeatability 
<h4>5. Waters Corporation: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008300_en_1dd7d73213.pdf">Converting Target Analysis of Organochlorine Pesticides in Environmental Matrices from Electron Ionization GC-HRMS Using Helium Carrier Gas to Atmospheric Pressure Ionization GC-MS/MS Using Nitrogen Carrier Gas</a></h4>
<ul>
<li>Application Note</li>
</ul>
Abstract: Organochlorine pesticides (OCPs) are among the high production volume chemicals produced in the past that had wide application and exhibit significant persistence in the environment. DDT, for example, has a half-life in sediment of up to 15 years meaning that it may not be 90% degraded for 45 to 60 years.¹ Furthermore, they are associated with a number of negative health effects when bioaccumulated in humans and animals. These are among the reasons that nine of the initial 12 compounds addressed by the 2004 Stockholm Convention on Persistent Organic Pollutants (POPs) belong to this compound class.² 
Due to the complexity of matrices, such as sediment and biota, encountered when monitoring the fate, transportand occurrence of these compounds, it is necessary to employ techniques with high sensitivity, specificity, and robustness for these studies. In the past this has required the use of complex sample extraction and clean-up combined with electron ionization (EI) and high resolution mass spectrometry (HRMS) using magnetic sector instrumentation. However, in recent years the performance of Gas Chromatography Atmospheric Pressure Ionization Tandem Quadrupole Mass Spectrometry (GC-APCI-MS/MS) has demonstrated equal or better performance than the classic technique.³ In this work the Atmospheric Pressure Gas Chromatography (APGC™) ionization source on a Xevo™ TQ-XS Tandem Quadrupole System was used with both helium (He) and nitrogen (N₂) carrier gas to analyze sediment and biota extracts for the presence of 39 OCPs. Performance characteristics and sample quantification results for APGC-MS/MS were compared with results for the same aliquots run using GC-EI-HRMS.
Conclusion: The GC-EI-HRMS reference method separations and runtime were matched on the APGC-MS/MS system with only minor modification to the He carrier gas flowrate. Scaling of the column dimensions for use with N₂ carrier gas effectively reproduced the reference method separations and total runtime which allows the use of the same acquisition and processing files across both configurations. The comparison between the APGC He and N₂ carrier gas data shows that sensitivity is also maintained within a factor of two times between the two carrier gases. Analysis of extracted samples of biota and sediment indicate good agreement between the APGC N₂ carrier gas method and the EI HRMS reference method values. These results demonstrate the feasibility of modernizing the traditional reference method with a technique that is more easily integrated into most labs and more accessible for most operators.

News from LabRulezGCMS Library - Week 32, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 12th August 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!
<blockquote>
<h4>👉 <a href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you a poster from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by LECO, applications and other documents by Agilent Technologies, and Shimadzu!
<h4>1. LECO: <a href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/Leachables_Topical_Ointments_Sample_Prep_BTX_GC_TOFMS_Chroma_TOF_Sync_JB_ASMS_24_LPSS_325_c545e07c6d.pdf">Employing Novel Sample Preparation and Analysis by GC-TOFMS for Improved Target and Non-Target Detection of Leachables in Cream/Gel Drug Products</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Topical ointments are commonly used to treat diseases and skin conditions by introducing the active drug ingredient through the dermis. To ensure the safety of the product for consumers, the US FDA requires that these formulations undergo leachables studies to determine the presence of chemicals which may migrate into the product from the packaging materials. Topical ointments such as creams and gels often take the form of oil-in-water emulsions which presents a challenging matrix for these analyses. Since these emulsions cannot be analyzed directly, novel sample preparations must be developed. Even with improved sample preparation techniques, the resulting extracts can still be challenging for traditional GC-MS systems. In this collaborative study, two different sample preparation methods were employed to extract a group of five chemicals commonly found in metal packaging containers such as tubes and tins. Unspiked and blind spiked samples from extraction methods A and B were provided for analysis on LECO’s Pegasus® BTX GC-Time-of-Flight (TOF) MS system. The goal was to determine the ability of the system to effectively detect and identify these chemicals with a non-target approach by leveraging mass spectral deconvolution and a software tool (ChromaTOF® Sync) designed for the comparison of samples.
Conclusions
<ul>
<li>The Pegasus BTX GC-TOFMS successfully detected and identified all five spiked leachables in this non-target case study. Non-target analyses can be critically important for extractable and leachable studies to ensure drug product safety.</li>
<li>ChromaTOF Sync was used to successfully compare unspiked and blind-spiked ointment extracts to quickly find the leachable analytes which were present at significantly higher levels in the spikes. Automated deconvolution was crucial for uncovering the spiked analytes from the complex matrix interferences.</li>
<li>A brief demonstration of GCxGC separation power to improve the trace level identification of 9,10-anthracenedione in the presence of heavy matrix background was effectively demonstrated.</li>
</ul>
<h4>2. Agilent Technologies: <a href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/an_residual_nmp_lithium_ion_battery_electrodes_5994_7677en_agilent_66bf9d9256.pdf">Analysis of Residual N-Methyl-2-Pyrrolidone (NMP) in Lithium-Ion Battery Electrodes</a></h4>
<ul>
<li>Application</li>
</ul>
An analysis approach using the Agilent 8697 headspace sampler with the Agilent 8860 GC system and flame ionization detector
Abstract: Accurately measuring N-methyl-2-pyrrolidone (NMP) residue is crucial for ensuring appropriate control of electrode quality in lithium-ion battery manufacturing. This necessitates the extraction of residual NMP from battery electrodes for subsequent gas chromatography (GC) analysis. Two common extraction approaches include liquid extraction (LE) of NMP from electrodes and heated extraction through a headspace sampler. This application note describes an NMP analysis method using headspace-based extraction and GC analysis with a flame ionization detector (FID). Residual NMP analysis was then conducted on real electrode samples to compare the results between headspace sampling (HS) and LE techniques.
Conclusion: In this study, a method for analyzing residual NMP in electrodes was developed using the Agilent 8697 headspacesampler coupled with the Agilent 8860 GC system and FID. The method&#39;s investigation assessed the system&#39;s performance in terms of matrix-matched calibration, quantitation precision, detection limit, and system carryover. The HS approach demonstrated an excellent detection limit and quantitation precision for targeted NMP analysis. In the carryover test, no NMP was detected in the blank run immediately after analyzing a blank cathode spiked with 100 µg NMP. The comparison between HS and LE analytical methods showed that HS could accurately quantify NMP in anode samples. The recovery rate of NMP from cathodes using the HS technique was approximately 65 to 78% of that achieved by the LE-based method. Given its operational simplicity and quantitation precision, HS is suitable for the process control of an established electrodes manufacturing route, while LE is recommended for the development of manufacturing processes and troubleshooting electrode quality issues.
<h4>3. Agilent Technologies: <a href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/flyer_5q_gc_column_campaign_5994_7659en_agilent_5f55755564.pdf">Get the Most from Your MS Agilent J&amp;W DB-5Q and HP-5Q GC columns</a></h4>
<ul>
<li>Other</li>
</ul>
<h5>Agilent J&amp;W DB-5Q and HP-5Q GC columns</h5>
Meet the new gold standard for GC/MS
Agilent J&amp;W 5Q GC columns are designed to ensure optimal analyte delivery to your quadrupoles. They combine industry-leading ultra inert performance with ultra low-bleed technology, setting a new standard for GC/MS column reliability and productivity.
<ul>
<li>Ultra low-bleed performance enhances data accuracy with high spectral fidelity and stable baseline integration.</li>
<li>Ultra inert performance increases sensitivity for active, trace-level analytes and provides balanced deactivation for multiclass analyte panels.</li>
<li>Ultrafast conditioning and outstanding column durability improve uptime by minimizing the frequency of column changes.</li>
<li>Identical selectivity to current 5ms columns simplifies adaptation to existing retention time libraries and retention time locking.</li>
<li>Compatibility with any GC/MS system ensures a seamless fit for all Agilent GC platforms.</li>
</ul>
<h4>4. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c180_e101_c8f3739683.pdf">GC/GC-MS Glass Insert/Liner Selection Guide</a></h4>
<ul>
<li>Guides</li>
</ul>
<h5>Contents</h5>
1. Introduction
<ul>
<li>1-1. Glass Inserts/Liners 3</li>
<li>1-2. Sample Injection Unit/Injection Method 4</li>
</ul>
2. Glass Insert Selection
<ul>
<li>2-1. Glass Insert Selection by GC Model/Sample Injection Unit<ul>
<li>GC-2030/GC-2050</li>
<li>GC-2010 series</li>
<li>GC-2014 series</li>
<li>GC-2025</li>
<li>HS-10</li>
</ul>
</li>
<li>2-2. Glass Insert Selection by Application<ul>
<li>SPME/SPME Arrow</li>
<li>Aqueous Solvent Analysis</li>
<li>SPL (Split/Splitless)</li>
</ul>
</li>
</ul>
3. Selection Guide
4. All Glass Insert List
<ul>
<li>4-1. Glass Insert Compatible Instruments</li>
<li>4-2. Glass Insert Information Table</li>
</ul>
5. Accessories

News from LabRulezGCMS Library - Week 33, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 19th August 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!
<blockquote>
<h4>👉 <a href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you a posters from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by LECO, Agilent Technologies, Shimadzu, and Thermo Fisher Scientific!
<h4>1. LECO: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/NIST_LIBRARY_MATCH_QUALITY_HRT_MMS_CF_ASMS_24_LPSS_320_90d3c6e8c9.pdf">Evaluation of the NIST Library Matching Quality of Mass Spectra Generated by the GC-HR-TOFMS with Multi-Mode Ionization Source</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Comparison of electron ionization spectra against standardized libraries is a staple approach to compound identification in non-targeted GC-MS analysis. High-quality matches are central to the pace of, and confidence in, such analyses. Recent developments in gas chromatography high resolution mass spectrometry have progressed non-targeted analysis applications to a wide variety of studies. However, modern ion-optical design principles which allow gains in sensitivity and resolving power may inadvertently alter fragmentation patterns, which may in turn affect the reliability of automated comparisons against standard libraries. Thus, thorough evaluation and validation of the high-quality spectra matching to the standard libraries, like NIST, is necessary for comprehensive assessment of the promised benefits of new technologies.
Conclusions: This multi-mode ionization source, as assessed using these 207 diverse analytes, generates fragmentation patterns which align very well with the NIST spectral library. Across all analytes in standard solutions, the mean library match score was 935 and the standard deviation for this value was 24.2. Mean match scores were agreeable regardless of moieties present. Percent differences for MRPS #2 spiked into a Pu’er Tea and MRPS #8 spiked into a dietary supplement were - 3.75 % and -1.44 %, illustrating how the system can easily maintain spectral confidence even in complex matrices. Overall, this study suggests the electron ionization mode of this multimode ion source, in combination with its high-resolution time of flight mass analyzer, yields spectra in excellent agreement with the quadruple dominated NIST library.
<h4>2. Agilent Technologies: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_7000d_mrm_fast_analysis_enviro_compounds_asms_2024_thp360_en_agilent_d338929001.pdf">Fast Analysis of 140 Environmental Compounds by GC/MS/MS</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Pesticides, polycyclic aromatic hydrocarbons (PAHs), and polychlorinated biphenyls (PCBs) are persistent environmental pollutants with the potential for bioaccumulation.¹ Previously, these compound classes have been analyzed using gas chromatography with an electron capture detector (GC-ECD), but this requires full chromatographic separation of all analytes for confident chemical identification. With a triple quadrupole detector (QQQ), analysis time significantly drops due to mass identification eliminating the need to chromatographically separate all components. Further, multiple reaction monitoring (MRM) mode on the QQQ provides a higher confidence in peak identification than analysis by scan or selected ion monitoring (SIM) mode. Combining chromatographic separation and MS/MS analysis is especially useful for PAHs and PCBs where multiple analytes may have the same m/z value.
Conclusions: Transitioning methods from GC-ECD to GC/MS/MS is highly beneficial.
By running in MRM mode, we enable the following:
<ul>
<li>Significant time-savings</li>
<li>Increased confidence in hits</li>
<li>Sample quantification remains the same</li>
</ul>
<h4>3. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P364_Novel_High_Sensitivity_Detector_for_GCMS_adcdac36c4.pdf">Novel High Sensitivity Detector for GC/MS</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Overview
<ul>
<li>We have developed a novel high sensitivity detector which has a simple structure to achieve high ion transmission and eliminate neutral molecules simultaneously.</li>
<li>Signal to noise ratio (S/N) was 1.5 times higher than that with a conventional detector.</li>
</ul>
Introduction: 
In GC/MS, numerous neutral molecules originated from carrier gas pass through quadrupole mass filter without being removed, and thereby they are finally transferred to ion detector. When they enter the detector, they may cause noise in the detecting signal. For this problem, some detector structures have already been proposed to remove these neutral molecules. However, they have complex structures and the room for improvement of ion transmission. In this study, we have developed the new high sensitivity detector which has a simple structure to achieve high ion transmission and to eliminate neutral molecules simultaneously.
Conclusions:
<ul>
<li>We have developed the new high sensitivity detector and achieved the high ion transmission and removal of neutral molecules simultaneously.</li>
<li>Signal intensity was increased by 1.2 times and noise was reduced by about 20%, S/N was 1.5 times higher than that with the conventional detector.</li>
<li>This noise reduction effect will be larger in the high flow analysis. In addition, this detector is promising to extend the lifetime of the detector due to less contamination from neutral particles in the conversion dynode and electron multiplier.</li>
</ul>
<h4>4. Thermo Fisher Scientific: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_142_utilizing_hydrogen_pesticides_food_gc_ms_po142_asms2024_en_7ed0951b93.pdf">Utilizing hydrogen carrier gas for sensitive analysis of pesticides in food using gas chromatography mass spectrometry</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
<h5>Abstract</h5>
Purpose: To demonstrate the performance of the Thermo Scientifc HeSaverH2Safer kit for iConnect split-splitless (SSL) injection module for trace analysis of pesticides using H2 as a carrier gas as a safe and sustainable solution for laboratory operations 
Methods: In this study, hydrogen was used as a carrier gas for GC-MS/MS analysis of trace levels of pesticides in food. The GC was fitted with a new hydrogen safer split/splitless injector, with chromatographic separation performed on a TG-5 SIL MS (30 m × 0.25 mm, 0.25 μm) capillary GC column. The chromatographic conditions applied ensured critical pair separation was achieved. The GC-MS/MS system was equipped with an advanced electron ionization (AEI) source to increase sensitivity for analyte detection. Quantification and assessment of critical regulatory requirements, such as linearity and sensitivity, were performed in a single software.
<h5>Conclusions</h5>
<ul>
<li>The use of the HeSaver-H2Safer technology allows for a safe and compliant use of hydrogen as an alternative carrier gas in GC/GC-MS applications without the need to install a hydrogen sensor and removes any risk of unwanted reactions with the sample in the hot SSL injector.</li>
<li>When used with hydrogen, the limited carrier gas consumption offered by the HeSaverH2Safer mode permits a very controlled system demand for hydrogen, making this solution ideal for laboratories working with hydrogen generators.</li>
<li>Migrating the GC-MS/MS method from helium to hydrogen requires an adaptation of method parameters to address (i.e., retention time shift and different fragmentation patterns).</li>
<li>97% of pesticides in baby food and 98% in honey showed a linear response in the concentration range 0.005–0.500 mg/kg and the relative standard deviation for N=5 repeats of each sample type at 0.01 mg/kg was equal or lower than 10% for 98% of the evaluated compounds.</li>
</ul>

News from LabRulezGCMS Library - Week 34, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 26th August 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!
<blockquote>
<h4>👉 <a href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you a posters from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by LECO, Agilent Technologies, Shimadzu, and Thermo Fisher Scientific!
<h4>1. LECO: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Long_Lifetime_Ion_Detector_GC_G_Cx_GC_TOFMS_MS_ASMS_24_LPSS_326_4c9e1fb7a1.pdf">A Novel Long-Lifetime Ion Detector for GC-TOFMS and GCxGC-TOFMS with Sub-Femtogram Detection Limits</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Ion detection efficiency and fast response times are critical aspects of the ion detectors used in time-of-flight mass spectrometry (TOFMS). With modern advancements in ionization, ion optics, and ion transfer efficiency, TOFMS systems are capable of generating high ion flux onto the ion detectors. Having an ion detector that is capable of maintaining optimal performance over a long period of time while accepting high amounts of ion flux is a significant challenge in development of TOFMS instrumentation. Improvements in detector life will minimize maintenance costs and improve TOFMS user experience. A novel long-lifetime ion detector was developed in partnership with El Mul Technologies for use in LECO’s Pegasus® BTX GC and GCxGCTOFMS. The system was thoroughly evaluated for sensitivity and robustness, including longevity of the detector.
Conclusions: The Pegasus BTX GC(GCxGC)-TOFMS with a novel Long-Lifetime Ion Detector has demonstrated the following performance characteristics:
<ul>
<li>Sub-2 fg IDL for GC-TOFMS and Sub-fg IDL for GCxGC-TOFMS</li>
<li>Linear dynamic range of 5 orders of magnitude in GC-TOFMS and 4 orders of magnitude in GCxGC-TOFMS</li>
<li>Robust operation: the detector bias remains consistent and BTX peak intensity remains consistent over long periods of time, even with large numbers of samples acquired and significant amounts of charge accumulation on the detector.</li>
</ul>
<h4>2. Thermo Fisher Scientific: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_153_dioxin_analysis_gc_orbitrap_capabilities_po153_asms2024_en_f72a355ee6.pdf">Meeting the challenges of Dioxin analysis and more with GC-Orbitrap high mass resolution capabilities</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
<h5>Abstract</h5>
Purpose: Evaluate the performance of gas chromatography (GC) Orbitrap high mass resolution spectrometry for trace analysis of polychlorinated dibenzo-p-dioxins/furans (PCDD/PCDF) at current maximum allowable limits in soil according to EPA 1613 method criteria.¹ 
Method summary: Sample analysis was carried out on the Thermo ScientificOrbitrap Explorisᵀᴹ GC 240 mass spectrometer. A sample volume of 1.5 μL was injected for chromatographic separation using a TG-Dioxin (60 m × 0.25 mm, 0.25 μm) capillary GC column with a Thermo Scientific TRACE 1610 GC. Ion source conditions were optimized to fulfill sensitivity criteria of EPA 1613. Performance was evaluated through analysis of a raw soil extract previously analyzed using a regulatory compliant method². Quantification was performed using isotopic dilution in Thermo Scientific Chromeleon Chromatography Data System (CDS) software using the Dioxin Analyzer workflow . 
Results: The Orbitrap GC mass spectrometer fulfilled the high sensitivity, mass accuracy and resolution criteria of EPA 1613 at femtogram (fg) levels within a raw soil extract. Combined with a large dynamic range (0.05 – 100 pg•μL⁻¹), the OE GC provides users with an alternative analytical approach to deliver sensitive and accurate analysis of PCDD/F while enabling laboratories to meet future analytical challenges with high resolution accurate mass data.
<h4>3. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P_347_ASMS_Poster_Cafe_Ana_V6_239x117_03f5bcb26c.pdf">Ensuring food safety through the study of potential extractables and leachables in roasted coffee packaging by ultra-sensitive Headspace GC/MS</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction
<ul>
<li>The main function of food product packaging is to protect food against any contaminant. However, in some circumstances, this packaging can release possible substances that pose a risk to human health. These are extractables and leachables (E&amp;L) compounds that migrate from materials into the product, especially under factors such as temperature, time, and solvents.</li>
<li>Notably, Brazilian legislation lacks a consolidated assessment to monitor these compounds in the food industry.</li>
<li>The Headspace Shimadzu HS-20 NX trap model allows the concentration of compounds, up to 10 times, in a trap material. This means that even very small traces of these contaminants can be detected and quantified accurately.</li>
<li>When coupled with GCMS-QP2020 NX (Fig.1), the HS-20 NX becomes a powerful tool for identifying and analyzing potential toxic contaminants, significantly contributing to food safety and compliance with quality regulations.</li>
</ul>
Conclusion
<ul>
<li>The use of HS-20 NX in Trap mode with GC/MS enabled the identification of over 100 compounds, comparing the spectra with the National Institute of Standard and Technology (NIST) library. Among these compounds are potential E&amp;L substances, as well as coffee aroma components.</li>
<li>This technique demonstrates high versatility and efficiency by providing high analytical sensitivity capable of identifying compounds even at low concentrations, something unachievable by conventional methods. This evolution represents a notable advancement in coffee and food quality control, enabling precise detection of essential characteristics and components to ensure the excellence of the final product and consumer health.</li>
</ul>
<h4>4. Agilent Technologies: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P_347_ASMS_Poster_Cafe_Ana_V6_239x117_03f5bcb26c.pdf">Faster Qualitative Analysis of Essential Oils Using GC/MS with Hydrogen Carrier Gas and a Hydrogen Optimized EI Source</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: 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 conversion of a GC/MS method for the identification of flavor and fragrance compounds in essential oils from helium to hydrogen (H₂). A single quadrupole GC/MS system was used with hydrogen carrier gas and an EI source optimized to provide spectral fidelity with hydrogen. To increase confidence in compound identifications, deconvoluted mass spectra and linear retention indices (RI) were searched against the NIST23 mass spectral library. A column and chromatographic conditions for hydrogen were chosen that reduce the analysis time by 2.5 times compared to the helium method and generates results comparable to helium.
Conclusions: The data presented here shows that H₂ can successfully be used as a carrier gas for flavor and fragrance analyses with the proper conversion steps.
<ul>
<li>The choice of the 20 m x 0.18 mm id x 0.18 µm film HP-5MSUI column allowed a 2.5 times faster analysis with equivalent chromatographic resolution.</li>
<li>The Method Translation calculator provided chromatographic conditions that maintained the same elution order as with the He method, resulting in excellent agreement of the RI values measured with both methods.</li>
<li>The use of MassHunter Unknowns Analysis software to deconvolute spectra and search them with RI filtering against the NIST23 library significantly simplified identification of the flavor components.</li>
<li>The HydroInert EI source minimized in-source reactions with H₂, resulting in higher LMS values.</li>
</ul>
For further details on this work, please see reference 3. Reference 4 provides more information on flavor components that can react with H₂ in the source, and which benefit from the use of HydroInert. Note that if He is available at an acceptable price, it is the preferred carrier for GC/MS and should be used. However, as shown in this work, H2 can be used if appropriate method adjustments are made to accommodate its use.

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