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Mass Spectrometry: Complex Analysis

Mass Spectrometry: Complex Analysis

Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
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Related Experiment Video

Updated: Jan 11, 2026

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

Published on: April 18, 2019

Shedding Light on PFAS Dark Matter Using a Novel GC-HRMS Approach.

Jeremy P Koelmel¹, Elizabeth Z Lin¹, Parker Chang¹

¹Department of Environmental Health Science, Yale School of Public Health, New Haven, Connecticut 06520, United States.

Environmental Science & Technology

|November 18, 2025

Summary

This summary is machine-generated.

A new gas chromatography method enhances per- and polyfluoroalkyl substances (PFAS) detection in diverse samples. This approach identifies novel and rarely monitored PFAS, improving environmental and human health risk assessment.

Keywords:

AFFF PFAS aqueous firefighting foams blood electron ionization gas chromatography high resolution mass spectrometry positive chemical ionization

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Published on: July 3, 2025

Area of Science:

Environmental Chemistry
Analytical Chemistry
Toxicology

Background:

Thousands of per- and polyfluoroalkyl substances (PFAS) exist, posing environmental and health risks.
Current liquid chromatography-high resolution mass spectrometry (LC-HRMS) methods detect only a fraction of known PFAS.
Comprehensive characterization of the diverse PFAS chemical space is crucial for accurate risk assessment.

Purpose of the Study:

To develop a novel nontargeted gas chromatography-high resolution mass spectrometry (GC-HRMS) workflow.
To expand the analytical coverage of PFAS in environmental and biological matrices.
To identify previously undetected PFAS compounds for improved monitoring and risk evaluation.

Main Methods:

Developed and implemented a nontargeted GC-HRMS workflow.
Utilized extensive GC-HRMS PFAS libraries (over 1,900 spectra) for compound identification.
Analyzed five matrices: aqueous film-forming foam (AFFF), industrial outfall, leachate, floor dust, and human blood.

Main Results:

Identified a novel PFAS, 2-(perfluorohexyl)ethanethiol, in AFFF formulations.
Detected N-methyl-N-(2-hydroxyethyl)perfluorooctanesulfonamide (N-MeFOSE) frequently and abundantly in blood, leachate, dust, and industrial outfall.
Observed no overlap in detected PFAS between GC-HRMS and LC-HRMS methods for leachate and blood samples.

Conclusions:

The developed nontargeted GC-HRMS workflow significantly expands PFAS detection capabilities.
This method is essential for identifying previously undetected PFAS in various matrices.
Enhanced monitoring tools are critical for assessing and mitigating potential health and environmental risks associated with PFAS.