News from LabRulezGCMS Library - Week 34, 2026

When performing untargeted analyses for breath biomarker discovery, the goal is to identify biological signals in the breath chemistry that can help detect disease states, probe microbial interactions, and track environmental exposures. However, untargeted metabolomics and downstream data analysis workflows are vulnerable to signal contamination by non-biological variance associated with sample collection and handling and instrumental drift, which can obscure meaningful biological patterns. 

Objective/Aims

The goal of this study is to identify and quantify non-biological variance in untargeted volatile metabolomics arising from sample collection procedures and instrumental drift.

Methods

Breath samples were collected and transferred onto Thermal Desorption Tubes (TDTs) in technical duplicates. TDTs were stored at 4˚C and analyzed using two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC×GC– TOFMS).

Conclusions

Instrument drift and other non-biological factors can strongly affect metabolomics data. Consistent, timedependent patterns of dissimilarity highlight the need to identify and control these sources of variance to ensure reliable biomarker discovery.

2. Shimadzu: Analysis of Volatile PFAS in Textiles Using GCMS-TQ8040 RX with MMI

• Application note
• Full PDF for download

User benefits

• Using the GCMS-TQ8040 RX and the Multi-Mode Injection Unit (MMI), 12 volatile PFAS including compounds listed in EN 17681-2,
  can be analyzed at the ppb level without preconcentration.
• The spike recovery test shows good percentage recoveries of all compounds (80–120 %) that are at or below the EU Persistent
  Organic Pollutants (POPs) threshold limit (25 ppb)

Per- and polyfluoroalkyl substances (PFAS) are used in textile products because of their useful properties, such as heat resistance and water repellency. However, PFAS are also extremely stable substances that resist degradation and accumulate in the environment, which has led to concerns about their effects on humans. Since eliminating sources of PFAS is essential to prevent them from accumulating in the environment and in living organisms, many countries are passing laws that restrict the production, distribution, and use of PFAS in products. For example, the EU POPs Regulation sets a permitted threshold of up to 0.025 mg/kg (25 ppb) for certain PFAS (including PFOA, PFOS, and PFHxS) in substances, mixtures, or articles1) . EN 17681 defines standard test methods for PFAS analysis in textiles2),3) . 

In a previous Application News, No. 01-01108, an example of analyzing volatile and nonvolatile PFAS in textiles using LC/MS/MS and GC/MS/MS based on this standard was introduced. This study shows an example of trace analysis of volatile PFAS (Table1) in textiles using the newly developed GCMS-TQ RX series equipped with the Multi-Mode Injection Unit (MMI).

GCMS-TQ8040 RX 

Delivering highly sensitive multi-component simultaneous analysis, the system improves operational efficiency through Analytical Intelligence , while also providing performance as a single GC-MS. The GCMS-TQ RX Series is a versatile triple quadrupole GC-MS that demonstrates high performance across a wide range of application fields. By combining it with the newly developed Multi-Mode Injection Unit (MMI), multiple injection methods are supported and analytical capability is further expanded.

Multi-Mode Injection Unit (MMI) 

The Multi-Mode Injection Unit (MMI) supports a wide range of injection modes in a single unit, including split/splitless (SPL), programmable temperature vaporization (PTV), large-volume injection (LVI), direct injection, and thermal desorption/extraction (TD/TE). Dedicated software with an intuitive user interface enables easy method creation and seamless method transfer, simplifying analytical workflows. In this Application News, use of the MMI enables a threefold increase the injection volume compared with conventional injection methods, while maintaining peak shape.

Conclusion 

Using the GCMS-TQ8040 RX and the MMI, volatile PFAS in textiles were analyzed. The results showed that all compounds measured in this study could be analyzed at 25 ppb or below. Furthermore, in the spike recovery test at the EU POPs regulatory limit of 25 ppb, recoveries were within 80 to 120 % for all compounds, showing good results. By increasing the injection volume with the MMI, trace levels of volatile PFAS can be measured even with the standard GCMS-TQ8040 RX model.

3. Thermo Fisher Scientific: Increase manufacturing productivity with handheld Raman analyzers

• Product specification
• Full PDF for download

Raw material ID testing for pharmaceutical and biotechnology manufacturing quality control processes requires speed, ease and efficiency to maintain continuous manufacturing. Samples are often brought to a quality control lab for testing, increasing costs and decreasing productivity. The Thermo Scientific™ TruScan™ G3 Handheld Raman Analyzer enables non-technical operators to rapidly perform raw material ID testing without the need of a lab, bringing lab-quality performance and results to any setting, whether that be a warehouse or loading dock. 

The TruScan G3 Handheld Raman Analyzer uses lab-proven Raman spectroscopy to perform rapid material identification at the point of need to decrease sampling costs and increase inventory turns. Designed for intuitive operation, its non-destructive point-and-shoot sampling principle facilitates rapid verification of a broad range of chemical compounds through sealed packaging to minimize the risk of contamination and exposure. 

The TruScan G3 Handheld Raman Analyzer is built with a state-of-the-art optical platform paired with a field-proven embedded chemometrics engine. Our patented, multivariate residual analysis offers the most effective chemometric solution for material identification – with two spectral pre-processing options, that are easy to operate in challenging environments and sampling conditions.

Key features 

• Non-destructive, point and shoot sampling through plastic bags, glass containers, blister packs and clear gel caps 
• Optional immersion probe for in-situ analysis and ergonomic comfort
• Backwards compatibility with TruScan RM Handheld Raman Analyzer validated methods, makes TruScan G3 Handheld Raman Analyzer deployment a quick method transfer for a near seamless experience 
• A secured method for transferring of data via WIFI or wired connection for peace of mind 
• No frequent hardware maintenance nor consumables to operate are required 
• Digital data sign-off enhances 21 CFR Part 11 compliance 

Applications 

• Incoming raw, in-process, or finished material identity verification 
• Identity check prior to dispensing of materials during manufacturing 
• Field or laboratory counterfeit drug identification

4. Waters Corporation: Extending PFAS Analytical Workflows with APGC-MS/MS Analysis: A Method for 35 GC-Amenable PFAS Compounds

• Application note
• Full PDF for download

Benefits 

• An APGC-MS/MS method for the analysis of 35 GC-amenable PFAS allowing for characterization of PFAS samples beyond the suite of commonly targeted LC-MS/MS compounds, for a more complete assessment of PFAS burden
• Injection of samples already extracted for LC-MS/MS analysis is possible without having to perform solvent exchange, saving time and labor  
• Sensitive and robust analysis to detect trace levels of PFAS in samples

Routine PFAS analysis most commonly utilizes liquid chromatography (LC) as the separation technique and is the basis for most standardized methods that are currently available. While this is a key technique in the analysis of PFAS, there are classes of volatile and semi-volatile PFAS that do not chromatograph well using LC and require the use of gas chromatography (GC) to be successfully analyzed. Classes of PFAS that favor GC analysis include, but are not limited to, fluorotelomer alcohols (FTOH), fluorotelomer acrylates (FTAcr), fluorotelomer methacrylates (FTMAC), and fluorotelomer acetates (FTOAc). Additionally, there are classes that can be analyzed using both LC and GC techniques, including sulfonamides (PFSA) and sulfonamidoethanols (PFSE). 

All of these compounds are considered precursor compounds that terminally transform into the most widely studied PFAS, perfluoroalkyl carboxylates (PFCA) and perfluoroalkyl sulfonates (PFSA). Not only are they precursors in the synthesis of PFCA and PFSA end products, they are also intentionally used in products such as food packaging and textiles to impart grease and water proofing qualities. 

These precursor compounds are also discharged into the environment through similar routes as their end products (landfills, manufacturing waste, firefighting foams, etc), but also through volatilization, transport and deposition through the atmosphere either in the gas phase or bound to particulates. Like most PFAS, not much is known about the human toxicity of these particular PFAS, although some animal and in vitro studies do point to similar health effects as more commonly studied PFCAs and PFSAs, including liver and kidney toxicity, endocrine disruption and negative immune effects.1-4 Furthermore, their ability to transform in the environment to PFCAs and PFSAs, which are known to have toxic health implications, make them of concern. 

GC-MS/MS analysis for the volatile and semi-volatile GC amenable PFAS provides an additional tool in the workflow of PFAS sample analysis, increasing the comprehensiveness of sample characterization. In this application note, the development of an atmospheric pressure gas chromatography (APGC) coupled to tandem quadrupole mass spectrometry (MS/MS) method will be presented. Application of this method to authentic samples will be explored in a companion application note.

Experimental

• GC system: Agilent 8890 
• Autosampler: 7693A ALS
• MS system: Xevo™ TQ Absolute Mass Spectrometer 
• Ionization mode: API+

Conclusion 

An optimized APGC-MS/MS method for the analysis of 35 GC amenable PFAS has been presented, providing a practical way to extend existing workflows with sensitive and accurate analysis for fluorotelomer alcohols, acrylates, methacrylates, acetates, sulfonamides and sulfonamidoethanols. This approach could integrate seamlessly with existing LC-MS/MS workflows, allowing labs to extend compound coverage without requiring changes to established sample preparation protocols. Performance for all compounds was found to be optimal with the use of a siltek deactivated inlet liner and a 30 m x 0.25 mm ID, 0.50 µm Rtx-200 column. This configuration allows for the injection of samples pre-extracted for LC-MS/MS analysis that are in mainly methanol and water, allowing labs to generate additional insights without increasing sample prep burden. Method LLOQs ranged from 0.005 – 5.0 ng/mL, with most compounds being below 0.10 ng/mL, delivering robust performance across compound classes, indicating the method can be used for trace level applications. Overall, APGC-MS/MS adds a complementary capability to LC-MS/MS methods, allowing labs to comprehensively assess PFAS contamination for better understanding and informed regulatory or product safety decisions. Further application notes will demonstrate the use of this method in environmental and food packaging samples, highlighting how labs can gain more complete PFAS insights while leveraging existing workflows.