FN Archimer Export Format
PT J
TI Cracked and shucked: GC-APCI-IMS-HRMS facilitates identification of unknown halogenated organic chemicals in French marine bivalves
BT 
AF SINGH, Randolph
   Aminot, Yann
   HEAS-MOISAN, Karine
   Preud'homme, Hugues
   Munschy, Catherine
AS 1:1;2:1;3:1;4:2;5:1;
FF 1:PDG-RBE-CCEM;2:PDG-RBE-CCEM;3:PDG-RBE-CCEM;4:;5:PDG-RBE-CCEM;
C1 Ifremer, CCEM Contamination Chimique des Ecosystèmes Marins, F-44000, Nantes, France
   IPREM-UMR5254, E2S UPPA, CNRS, Technopôle Helioparc, 2 Avenue P. Angot, 64053 Pau Cedex 9, France
C2 IFREMER, FRANCE
   UNIV PAU & PAYS ADOUR, FRANCE
SI NANTES
SE PDG-RBE-CCEM
IN WOS Ifremer UPR
   copubli-france
   copubli-univ-france
IF 11.8
TC 1
UR https://archimer.ifremer.fr/doc/00846/95832/103709.pdf
   https://archimer.ifremer.fr/doc/00846/95832/103710.xlsx
   https://archimer.ifremer.fr/doc/00846/95832/103711.pdf
LA English
DT Article
DE ;Halogenated organic contaminants;Halogenated natural products;GC-APCI-IMS-HRMS;Chemicals of emerging concern;Non targeted analysis/non target screening;French bivalves
AB High resolution mass spectrometry (HRMS)-based non-target analysis coupled with ion mobility spectrometry (IMS) is gaining momentum due to its ability to provide complementary information which can be useful in the identification of unknown organic chemicals in support of efforts in unraveling the complexity of the chemical exposome. The chemical exposome in the marine environment, though not as well studied as its freshwater counterparts, is not foreign to chemical diversity specially when it comes to potentially bioaccumulative and bioactive polyhalogenated organic contaminants and natural products. In this work we present in detail how we utilized IMS-HRMS coupled with gas chromatographic separation and atmospheric pressure chemical ionization (APCI) to annotate polyhalogenated organic chemicals in French bivalves collected from 25 sites along the French coasts. We describe how we used open cheminformatic tools to exploit isotopologue patterns, isotope ratios, Kendrick mass defect (Cl scale), and collisional cross section (CCS), in order to annotate 157 halogenated features (level 1: 54, level 2: 47, level 3: 50, and level 4: 6). Grouping the features into 11 compound classes was facilitated by a KMD vs CCS plot which showed co-clustering of potentially structurally-related compounds. The features were semi-quantified to gain insight into the distribution of these halogenated features along the French coast, ultimately allowing us to differentiate between sites that are more anthropologically impacted versus sites that are potentially biodiverse. This work demonstrates how the identity and distribution of potentially bioaccumulative halogenated organic contaminants and natural products were identified, in marine bivalves from the French coasts, using CCS and KMD. 
PY 2023
PD AUG
SO Environment International
SN 0160-4120
PU Elsevier BV
VL 178
UT 001147722600001
DI 10.1016/j.envint.2023.108094
ID 95832
ER

EF