Analysis of rubber-derived contaminants in surface water and snow by liquid chromatography coupled with a hybrid linear ion-trap-Orbitrap high-resolution mass spectrometry
Abstract
Analytical methods were developed to quantify eight rubber-derived organic contaminants, including four p-phenylenediamine-derived quinones (PPDQs), 1,3-diphenylguanidine (DPG), 1,3-diphenylurea (DPU), N,N-dibutylbutan-1-amine (TBA), and 1,3-dicyclohexylurea (DCU) in the dissolved phase and suspended particulate matter (SPM) of surface water and melted snow. Dissolved-phase samples were prepared using solid-phase extraction with hydrophilic-lipophilic balance cartridges and a 3/7 (v/v) mixture of acetonitrile and dichloromethane as elution solvents. SPM samples underwent ultrasonic-assisted extraction using the same solvent mixture. Reduced glutathione was added before extraction to improve recovery and reduce variability of target compounds. Quantification was performed using ultra-high-performance liquid chromatography coupled with a hybrid linear ion-trap-Orbitrap high-resolution mass spectrometry (UHPLC/ESI-LTQ-Orbitrap) in positive electrospray ionization and full-scan mode (m/z 100-500). Method detection limits for surface water ranged from 0.2 to 7.0 ng/L in the dissolved phase and 0.1-2.6 ng/L in SPM. For melted snow, detection limits ranged from 0.2 to 5.0 ng/L in the dissolved phase and from 0.1 to 5.4 ng/L in SPM. Sample storage tests (4°C and -20°C) indicate that the dissolved phase should be extracted on the sample collection day, while SPM samples (filters stored at -20°C) should be extracted within seven days. Three of the eight target compounds, including DPG, DCU, and 2-((4-methylpentan-2-yl)amino)-5-(phenylamino)cyclohexa-2,5-diene-1,4-dione (6PPDQ), were detected in environmental surface water and snowmelt samples from Quebec, Canada. This is the first reported method using UHPLC/ESI-LTQ-Orbitrap to simultaneously determine these eight contaminants in the dissolved and SPM phases of surface water and melted snow.
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BibTeX
@article{anquetin2026analysis,
title = {{Analysis of rubber-derived contaminants in surface water and snow by liquid chromatography coupled with a hybrid linear ion-trap-Orbitrap high-resolution mass spectrometry}},
author = {Julie Anquetin and Mathieu Babin and Rachid Amara and Zhe Lu},
journal = {Journal of Chromatography A},
year = {2026},
month = oct,
doi = {10.1016/j.chroma.2025.466417},
url = {https://hal.science/hal-05828655v1},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - JOUR
TI - Analysis of rubber-derived contaminants in surface water and snow by liquid chromatography coupled with a hybrid linear ion-trap-Orbitrap high-resolution mass spectrometry
AU - Julie Anquetin
AU - Mathieu Babin
AU - Rachid Amara
AU - Zhe Lu
PY - 2026
DA - 2026/10/29
JO - Journal of Chromatography A
DO - 10.1016/j.chroma.2025.466417
UR - https://hal.science/hal-05828655v1
AB - Analytical methods were developed to quantify eight rubber-derived organic contaminants, including four p-phenylenediamine-derived quinones (PPDQs), 1,3-diphenylguanidine (DPG), 1,3-diphenylurea (DPU), N,N-dibutylbutan-1-amine (TBA), and 1,3-dicyclohexylurea (DCU) in the dissolved phase and suspended particulate matter (SPM) of surface water and melted snow. Dissolved-phase samples were prepared using solid-phase extraction with hydrophilic-lipophilic balance cartridges and a 3/7 (v/v) mixture of acetonitrile and dichloromethane as elution solvents. SPM samples underwent ultrasonic-assisted extraction using the same solvent mixture. Reduced glutathione was added before extraction to improve recovery and reduce variability of target compounds. Quantification was performed using ultra-high-performance liquid chromatography coupled with a hybrid linear ion-trap-Orbitrap high-resolution mass spectrometry (UHPLC/ESI-LTQ-Orbitrap) in positive electrospray ionization and full-scan mode (m/z 100-500). Method detection limits for surface water ranged from 0.2 to 7.0 ng/L in the dissolved phase and 0.1-2.6 ng/L in SPM. For melted snow, detection limits ranged from 0.2 to 5.0 ng/L in the dissolved phase and from 0.1 to 5.4 ng/L in SPM. Sample storage tests (4°C and -20°C) indicate that the dissolved phase should be extracted on the sample collection day, while SPM samples (filters stored at -20°C) should be extracted within seven days. Three of the eight target compounds, including DPG, DCU, and 2-((4-methylpentan-2-yl)amino)-5-(phenylamino)cyclohexa-2,5-diene-1,4-dione (6PPDQ), were detected in environmental surface water and snowmelt samples from Quebec, Canada. This is the first reported method using UHPLC/ESI-LTQ-Orbitrap to simultaneously determine these eight contaminants in the dissolved and SPM phases of surface water and melted snow.
SN - 0021-9673
SN - 1873-3778
ER -