News from LabRulezGCMS Library - Week 23, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 2nd June 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!

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This week we bring you application notes by Agilent Technologies and Shimadzu, presentation by Certech / MDCW and poster by Thermo Fisher Scientific!

1. Agilent Technologies: Fully Automated Workflow for Volatile PFAS Analysis in Food Contact Materials Using GC-Triple Quadrupole MS

• Application note
• Full PDF for download

"Forever Chemicals" is a term used to describe PFAS due to their slow chemical breakdown and persistence in the environment. Because of their excellent waterproof, nonstick, and stain-resistant properties, PFAS are widely used in various industries and consumer applications. Materials containing PFAS have been used in food packaging and FCMs since the mid-20th century.1,2 Scientific studies have shown that PFAS are prone to migrating into food through various pathways, potentially leading to public health issues.2,3 Consequently, new guidelines and regulations have been established to ensure the quality and safety of the materials used in the food industry. 

In the United States, the Food and Drug Administration (FDA) has phased out the use of certain PFAS as grease-proofing agents in paper and paperboard packaging, including perfluorooctanoate (PFOA), perfluorooctane sulfonate (PFOS), and 6:2 fluorotelomer alcohol (6:2 FTOH).4 In addition, the European Union (EU) is working on a comprehensive restriction of PFAS under the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH), which aims to limit the use of PFAS in various applications including food packaging and FCMs.5 Germany, Denmark, the Netherlands, Norway, and Sweden have also jointly proposed that the European Chemicals Agency (ECHA) enact a broad ban on PFAS in the EU market (REACH Appendix XV).6 It is expected that more regulations and voluntary initiatives will be implemented to address and control PFAS contamination in food packaging and contact materials. 

Therefore, establishing a sensitive and accurate quantitative analytical approach for PFAS analysis is crucial to ensure the safety of materials used in food industry. Technologies such as liquid chromatography (LC) and gas chromatography (GC) paired with triple quadrupole mass spectrometry (TQ) are often used to analyze different PFAS groups based on their properties.3 Volatile compounds such as FTOHs and fluorotelomer acrylates (FTAs) are particularly suitable for GC/TQ analysis due to their high vapor pressure. Manual sample preparation for PFAS in food packaging or FCMs involves processes such as leaching, cleanup and evaporation that are labor-intensive, costly, and reduce lab productivity.7 This application note presents a robust and fully automated method that uses the PAL3 Series 2 RTC autosampler coupled with an Agilent 7010D GC/TQ to quantify more than 30 volatile PFAS analytes in paper coffee cups, an FCM. The performance of the automated workflow was evaluated in terms of calibration linearity, MDLs, QC recovery, and method precision.

Experimental

Instrumentation

Figure 1 shows the integrated PAL3 Series 2 RTC autosampler coupled with an Agilent 7010D GC/TQ in the setup used to apply the fully automated PFAS quantitation workflow to paper coffee cup matrix. A 120 cm PAL3 Series 2 RTC autosampler was used as an automated liquid handling platform for calibration standards preparation, sample extraction, and injections onto the GC/TQ system. Equipped with various tools and modules, the PAL3 Series 2 RTC autosampler provided the necessary capabilities for its designated functions.

For the analysis of PFAS, a 7010D GC/TQ with a HES 2.0 ion source was coupled to an Agilent 8890 GC system equipped with an MMI inlet and splitless liner (part number 5190-2293). SWARM autotune was performed to obtain the optimal instrument settings. The entire system was managed by Agilent MassHunter Acquisition 13.0 software, which provides an integrated single-software-system experience. The instrument operating conditions and parameters are listed in Table 1.

Conclusion

This study demonstrates a robust and fully automated method for the analysis of volatile PFAS in FCMs using a PAL3 Series 2 RTC autosampler coupled with an Agilent 7010D GC/TQ system. The Agilent MassHunter Optimizer proved invaluable by simplifying and accelerating the development of the acquisition method for the volatile PFAS, making the process user-friendly and efficient. The 7010D GC/TQ system with the next-generation HES 2.0 ion source provided exceptional sensitivity, achieving sub-ppb MDLs for the majority of PFAS analytes. 

This high level of sensitivity ensures accurate quantitation of trace levels of volatile PFAS, which is essential for reliable analysis. Notably, for all FTOHs, an LOQ of 20 µg/kg with recoveries ranging from 65 to 135% and %RSD < 10 were achieved, highlighting the high extraction efficiency, accuracy, and reliability of the automated PAL3 Series 2 RTC autosampler with Agilent 7010D GC/TQ workflow for PFAS analysis in FCMs. 

Automation of the workflow offers significant advantages for routine laboratory operations. Automation reduces human errors, eliminates the need for manual intervention, decreases chemical usage, and enhances overall laboratory productivity. This high-throughput solution is not only reliable but can be used to provide valuable food safety guidance to regulatory bodies by ensuring that trace-level volatile PFAS monitoring in FCMs is efficient and accurate.

2. Certech / MDCW: Characterization of Odorous Compounds in Recycled Materials

• Presentation
• Full PDF for download

Recycled materials such as polypropylene (PP) and high-density polyethylene (HDPE) often emit unpleasant odors that can limit their applications. At the 16th MDCW, Certech presented a comprehensive methodology to identify and characterize these odorous compounds, which are typically present in trace amounts yet have significant sensory impact. Their approach combines sensory evaluation with advanced analytical instrumentation to reveal the chemical origin of smells.

Certech relies on GC-MS/Olfactometry, also known as "sniffing" - to link chemical structures with perceived odors. Trained panelists assess the intensity and character of smells in controlled sensory rooms, while instruments detect compounds at extremely low concentrations. Key techniques include thermal desorption (TD), headspace-trap, and high-capacity sorptive extraction (HiSorb), integrated into the Centri® platform for automated and reproducible sampling.

To deal with complex matrices like recycled PP, Certech employs GC×GC-HRTOFMS/FID, a powerful method that enables the detection of co-eluting compounds and unknowns. This multidimensional gas chromatography technique helps identify specific odor contributors such as pyrazines, diketones, or thiophenes, and supports comparisons before and after treatment processes.

Certech's custom methods, including Tedlar bag sampling and Tenax sorbent tubes, allow for global odor assessment under controlled thermal conditions. These tools make it possible to isolate and study minor volatile organic compounds (VOCs) that are otherwise masked by the complexity of the sample matrix.

By integrating human sensory perception with cutting-edge chemical analysis, Certech provides industries with actionable insights to improve the sensory quality of recycled polymers. Their services are a key asset for manufacturers aiming to meet quality expectations in sustainable materials.

3. Shimadzu: Gas Analysis Using a Brevis GC-2050 Gas Chromatograph with a GI-30 Auto Gas Injector and TCD and BID Detectors

• Application note
• Full PDF for download

User Benefits:

• The updated TCD detector has a shorter stabilization time and is suitable for analyzing high-concentration components.
• Shimadzu's unique BID detector can simultaneously analyze principal compounds including H2 and also detect low-concentration
  components.
• The combination of TCD and BID detectors allows for analyzing a wide range of sample concentrations.
• The newly introduced GI-30 automatic gas injector enables automatic and reproducible analysis of gas samples..

GC is used to analyze gases in a wide range of fields, such as natural resources/energy and environmental testing. Typical components analyzed include inorganic gases like H₂, CO, and CO₂, and lower hydrocarbons starting with CH₄. When analyzing these components with GC, either the TCD or BID detector can be selected asthe detector. 

Both TCD and BID detectors can detect all compounds except for carrier gases (the BID cannot detect Ne). TCD detectors are characterized by their ability to analyze high-concentration components reliably and its short stabilization time. In contrast, BID detectors are unique detectors, only offered by Shimadzu, that can detect low-concentration components that are difficult to detect with TCD detectors and can simultaneously analyze a variety of compoundsincluding H₂. 

This article describes using a Brevis GC-2050 system equipped with TCD and BID detectors to analyze gases with a GI-30 automatic gas injector. Using the GI-30, gas samples can be automatically injected into the GC unit, enabling reproducible continuous analysis. In addition, since the GI-30 can be used in conjunction with an AOC-30 series autoinjector or other units, gas samples and liquid samples can be efficiently analyzed with a single GC unit. This article also examines the analysis process flow and reproducibility when using the GI-30.

Conclusion

TCD and BID detectors, which can be installed in Brevis GC-2050 systems, are both effective detectors for gas analysis. TCD detectors can analyze high-concentration components and is characterized by a short stabilization time. BID detectors can detect trace components that are difficult to detect with a TCD detector and allow simultaneous analysis including H2. Additionally, the newly released GI-30 model not only reduces the burden on analysts through automatic continuous gas analysis but also enables highly reproducible analysis, which is difficult to achieve with manual injection.

4. Thermo Fisher Scientific: An integrated GC-MS/MS and LC-MS/MS workflow for quantitative analysis of pesticides with cross-confirmation using a single chromatography data system software

• Poster
• Full PDF for download

According to the World Health Organization, more than one thousand different pesticides are used to protect crops from pests to increase yields and to minimize deterioration of agricultural products during storage and transportation. However, inappropriate use of pesticides can result in contamination of the food supply and the environment making it essential to define and monitor pesticide residue targets to protect the environment, consumer health, support trade, and establish food regulatory control. Consequently, laboratories are tasked to develop methods with a broad scope to detect, correctly identify, and quantitate hundreds of different pesticides and their transformation products in diverse sample matrices, and often at levels well below maximum residue levels (MRLs) set by regulatory bodies.

Materials and methods

The samples were extracted using the Thermo Scientific QuEChERS AOAC 2007.01 Method extraction kit (P/N S1-15-AOAC-POT). Acetonitrile (15 mL) was added to 15 g of green beans sample; for wheat, water (15 mL) plus acetonitrile (15 mL) were added to the sample (5 g). No clean-up was applied to extracts for LC-MS/MS before injection. GC-MS/MS extracts were cleaned up using the Thermo Scientific QuEChERS AOAC 2007.01 method clean-up kit (P/N S2-2-GFV-AOAC-KIT), and an aliquot of the cleaned-up solution was solvent exchanged to heptane before injection.

For the LC-MS/MS amenable pesticides, a Thermo Scientific Vanquish Flex UHPLC system was connected to a Thermo Scientific Altis Plus mass spectrometer system. Chromatographic separation was achieved using a Thermo Scientific Hypersil GOLD C18 column (150 × 2.1 mm, 3 μm). See Figure 1 for more method details. 

For the GC-MS/MS amenable pesticides, a Thermo Scientific TRACE 1610 GC equipped with a Thermo Scientific iConnect Thermospray injector (TSI) and a Thermo Scientific TriPlus SMART autosampler was connected to a Thermo Scientific TSQ 9610 triple quadrupole GC-MS/MS system equipped with a Thermo Scientific Advanced Electron Ionization (AEI) source. Chromatographic separation was achieved using a Thermo Scientific TraceGOLD TG-SQC GC-capillary column (15 m × 0.25 mm ID × 0.25 μm film thickness). See Figure 2 for more method details

Conclusions

• The pre-configured Thermo Scientific GC-MS/MS and LC-MS/MS pesticide workflows for analysis of approximately 700 pesticides are available as out-of-the-box solutions which include the hardware, software, built-in instrument and data processing methods, details of sample extraction, and consumables for fast implementation into any laboratory. 
• The unique feature for cross confirmation of identity, combining GC-MS/MS and LCMS/MS data, provides increased confidence in results and reduces the need for reanalysis while minimizing the possibility of false positive and negative results. 
• The results obtained from analysis of the PT samples demonstrate how the integrated workflows can quantitate GC-MS/MS and LC-MS/MS amenable pesticides with the required accuracy and precision in a blind test, mimicking a real-world lab situation. 
• The Chromeleon CDS version 7.3.2, built specifically for pesticides, provides fast data processing of large datasets comprising of hundreds of pesticides, in any configuration, from a workstation on a single computer to a complete Chromeleon Enterprise environment connecting multiple MS instruments and computers.