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dc.contributor.authorRontani, J-Fen
dc.contributor.authorAubert, Cen
dc.contributor.authorBelt, STen

RATIONALE: 3,9,13-trimethyl-6-(1,5-dimethylhexyl)-tetradecan-1,2-diol and 2,8,12-trimethyl-5-(1,5-dimethylhexyl)-tridecanoic acid appear to be produced during the bacterial metabolism of IP25, a highly branched isoprenoid lipid often employed for past Arctic sea ice reconstruction. Characterization and quantification of these metabolites in sediments are essential to determine if bacterial degradation may exert a significant influence on IP25-based palaeo sea ice reconstructions. METHODS: EIMS fragmentation pathways of 3,9,13-trimethyl-6-(1,5-dimethylhexyl)-tetradecan-1,2-diol and 2,8,12-trimethyl-5-(1,5-dimethylhexyl)-tridecanoic acid TMS derivatives were investigated. These pathways were deduced by: (i) low energy CID-GC/MS/MS, (ii) accurate mass measurement and (iii) deuterium labelling. RESULTS: CID-MS/MS analyses, accurate mass measurement and deuterium labelling experiments enabled us to elucidate the EIMS fragmentations of 3,9,13-trimethyl-6-(1,5-dimethylhexyl)-tetradecan-1,2-diol and 2,8,12-trimethyl-5-(1,5-dimethylhexyl)-tridecanoic acid TMS derivatives. Some specific fragment ions useful in addition to chromatographic retention times for further characterization could be identified. As an application of some of the described fragmentations, the TMS derivatives of these metabolites were characterized and quantified in MRM mode in different Arctic sediments. CONCLUSIONS: EIMS fragmentations of 3,9,13-trimethyl-6-(1,5-dimethylhexyl)-tetradecan-1,2-diol and 2,8,12-trimethyl-5-(1,5-dimethylhexyl)-tridecanoic acid TMS derivatives exhibit specific fragment ions, which appear to be very useful for the quantification of these bacterial metabolites of the palaeo tracer IP25in sediments.

dc.titleEIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments.en
dc.typeJournal Article
plymouth.publication-statusPublished onlineen
plymouth.journalRapid Communications in Mass Spectrometryen
plymouth.organisational-group/Plymouth/00 Groups by role
plymouth.organisational-group/Plymouth/00 Groups by role/Academics
plymouth.organisational-group/Plymouth/Faculty of Science and Engineering
plymouth.organisational-group/Plymouth/Faculty of Science and Engineering/School of Geography, Earth and Environmental Sciences
plymouth.organisational-group/Plymouth/REF 2021 Researchers by UoA
plymouth.organisational-group/Plymouth/REF 2021 Researchers by UoA/UoA07 Earth Systems and Environmental Sciences
plymouth.organisational-group/Plymouth/Research Groups
plymouth.organisational-group/Plymouth/Research Groups/Marine Institute
dc.rights.embargoperiodNot knownen
rioxxterms.typeJournal Article/Reviewen

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