News from LabRulezGCMS Library - Week 39, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 23rd September 2024? 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 to you applications by Agilent Technologies, Shimadzu, Thermo Fisher Scientific, and a presentation by LECO!

1. Shimadzu: Analysis of Epichlorohydrin in Water using HS- GC/MS

• Application

User Benefits

• Water samples can be analyzed with a simple preparation.
• Using a headspace autosampler, the analysis of epichlorohydrin in water quality can be performed conveniently.

Introduction

Epichlorohydrin (ECH) is primarily used in the production of various resins (epoxy, ion exchange, etc.) and synthetic glycerin. Additionally, it is used as a stabilizer for carbon containing products in surfactants, plasticizers, dyes, and pharmaceuticals1). Some studies have demonstrated that damage to the nasal passages, respiratory tract and kidneys occurred in rodents exposed to epichlorohydrin. It has been observed that exposure to ECH induced a high nasal cancer response in rats, therefore, the United States Environmental Protection Agency (EPA) has classified epichlorohydrin as a “probable” human carcinogen (Group B2).

According Water Pollutants of Water Environment Conservation Act, the permissible discharge limits of ECH in water were 0.03 to 0.3 mg /L by the classified area. The test method for ECH analysis in water is "Epichlorohydrin-Solvent Extraction/Gas Chromatography-Mass Spectrometry (ES 04608.1)" as the official test method of water pollution.²⁾

The ES 04608.1 was used to extraction method with a large volume of solvent, it caused high consumption of solvent and long time of preparation. To solve these disadvantages, analysis of ECH in water in this application was performed using HS-20 NX headspace sampler without sample pretreatment.

This application demonstrates the validation of a method for analysis of ECH in water samples using HS-GC/MS (Fig. 1) to meet the demanded levels of ES 04608.1 in Korea.

Conclusions

This Application news demonstrated the use of a Shimadzu GCMS-QP2020 NX coupled HS-20 NX for measurement of ECH in water. The proposed analytical method was with good validation parameters, such as linearity, MDL, LOQ, accuracy and precision which was satisfied the criteria of standard method (ES 04608.1) in Korea.

2. Agilent Technologies: Estimation of Ethylene Oxide and 2-Chloroethanol in Spices and Oilseeds Using QuEChERS Extraction and GC/MS/MS

• Application

Abstract

This application note demonstrates the use of an Agilent 8890 GC system coupled with an Agilent 7010 GC/MS triple quadrupole mass spectrometry system to detect and quantify ethylene oxide (EtO) and 2-chloroethanol (2-CE) simultaneously in foodstuffs such as flaxseed, cumin powder, and red chili powder. Sample preparation was done using QuEChERS extraction and a dispersive cleanup process followed by injection into GC/MS/MS through liquid injection. A limit of quantification (LOQ) of 10 ppb for both compounds was achieved in matrix. Average recoveries ranged from 75 to 86% for both compounds.

Introduction

EtO is used to sterilize foods to eliminate insects and bacteria, such as salmonella. Ethylene chlorohydrin, or 2-CE, is a derivative produced by the reaction of EtO with chlorine ions present in foodstuff. Use of EtO is banned in the European Union (EU) due to its carcinogenic and toxic properties.

Previously, methods for analysis of EtO (EtO and 2-CE) have been developed that include acidic conversion of EtO to 2-CE. These methods are time-consuming, labor-intensive, and require large quantities of harmful solvents. Due to the volatile nature of EtO, sample preparation is crucial. In December 2020, the EU Reference Laboratories (EURL) for Residues of Pesticides recommended a single-residue method for the analysis of EtO and 2-CE in sesame seeds using QuEChERS extraction followed by GC/MS/MS analysis.
The method adopted in this work demonstrates the use of an automated liquid sampler for sample introduction to the 8890 GC system coupled with a 7010 GC/MS triple quadrupole mass spectrometry system.

Conclusion

An accurate and rugged method was developed which meets the requirements of the EURL for a single-residue method that uses QuEChERS extraction followed by GC/MS/MS analysis for the analysis of EtO and 2-CE in flaxseed, cumin powder, and red chili powder. The LOQ of the method was demonstrated at 10 ng/g for all the tested matrices. Repeatable results are found for 6 successive replicates of matrix-based standards at 10 ng/g concentration levels for EtO and 2-CE. Excellent recoveries were obtained for both EtO and 2-CE in all tested matrices at 20 and 50 ng/g spiked concentration levels. Thus, this study demonstrates the usefulness of the developed method for the routine analysis of food samples for EtO and 2-CE at trace levels.

3. Thermo Fisher Scientific: An advanced integrated GC-MS/MS and LC-MS/MS workflow for the comprehensive analysis of pesticide residues in food

• Application

Goal

Analysis of proficiency test (PT) samples to demonstrate the benefits of combining GC-MS/MS and LC-MS/MS with the innovative Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) for improving laboratory efficiency in the analysis of multi-class pesticide residues in food.

Keywords: Pesticide residues analysis, comprehensive pesticides workflows, QuEChERS, LC-MS/MS, GC-MS/MS, Chromeleon CDS, cross-confirmation, targeted quantitation, automated data review.

Background

According to the World Health Organization, more than one thousand different pesticides are used to protect crops from pests to increase crop yields and to minimize deterioration of agricultural products during post-harvest storage and transportation. However, inappropriate use of pesticides can result in contamination of the food supply, making it essential to define and monitor pesticide residue targets to protect consumer health, support trade, and establish food regulatory control.¹

Consequently, laboratories are tasked to develop methods to detect, correctly identify, and quantitate hundreds of different pesticides and their transformation products in hundreds of different sample matrices, in compliance with Maximum Residue Levels (MRLs) set by regulatory bodies.

Data analysis of pesticide residues in food typically requires numerous performance checks including retention time, ion ratios, calibration curves, recovery, and precision. Data review of thousands of data values in a single chromatographic run and checking compliance against quality control criteria such as the EC SANTE guidelines² are some of the most time-consuming tasks in pesticides analysis.

Therefore, it is essential that workflows cover a broad pesticides scope, are sensitive and robust, and are as productive and efficient as possible to achieve compliance with regulations while meeting business goals such as return on investment (ROI), sample turnaround times, and cost-per-sample targets.

An innovative approach

In response to this challenge, new pre-configured “out of the box” pesticide workflows based on the latest Thermo Scientific™ GC-MS/MS and LC-MS/MS instruments and Chromeleon CDS 3 have been specifically designed for multi-class pesticides analysis.

These solutions include the hardware, software, built-in instrument acquisition methods, and customizable data processing methods including view settings and report templates, along with details of sample extraction and consumables for fast implementation.

This new approach, which enables the detection, identification, and quantitation of up to 700 pesticides by GC-MS/MS and LC-MS/MS, combines results in a unique software user interface to confirm the identity of residues quickly and accurately, especially those amenable by both techniques.

This automated cross-confirmation increases confidence in the data by minimizing the risk of false positive and false negative results while increasing productivity by reducing the need for repeat sample injections when either the LC-MS/MS or GC-MS/MS analysis is subject to interference. This is especially the case for more difficult samples that contain high amounts of matrix co-extractives.

Proof statement

Laboratories are often required to undertake blind analysis of PT samples containing an unknown number of unspecified pesticides. Assessing PT samples is an independent and more realistic test of the laboratory’s methods and procedures.

In this application brief, the analysis of PT samples was undertaken to evaluate the analytical performance of the new integrated GC-MS/MS and LC-MS/MS pesticides workflow and to illustrate the benefits of the new software features.

4. LECO: Characterization and Quantitative Hydrocarbon Group-Type Analysis of Plastic-Derived Pyrolysis Oils by GCxGC-TOFMS/FID

• Presentation / MDCW

Outline

• Pyrolysis Oils Characterization Workflow
• Plastic-Derived Pyrolysis Oil Samples
• Choosing a GCxGC system
• Benefits of the Pegasus BT 4D MS
• Benefits of the Paradigm Shift System
• Choosing a GCxGC column set…
• Mapping out the GCxGC Space
• Group-Type Analysis of Pyrolysis Oils
• ChromaTOF TILE
• Areas of Interest + PCA
• Comparing Trends of Multiple Features
• Benefits of the Pegasus HRT+ 4D
• Benefits of the Multi-Mode Source (MMS)
• Pegasus HRT+ 4D Data Processing Workflows
• High-Resolution, Accurate Mass Data
• Mass Defect: Nitrogen-Containing Species
• Mass Defect: Sulfur-Containing Species
• Leveraging High Resolution Mass Accuracy
• Conclusion