EIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments.
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...
Published in: | Rapid Communications in Mass Spectrometry |
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Online Access: | http://hdl.handle.net/10026.1/11086 https://doi.org/10.1002/rcm.8101 |
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ftunivplympearl:oai:pearl.plymouth.ac.uk:10026.1/11086 2023-05-15T14:54:18+02:00 EIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments. Rontani, J-F Aubert, C Belt, ST 2018-05-30 http://hdl.handle.net/10026.1/11086 https://doi.org/10.1002/rcm.8101 en eng Wiley ISSN:0951-4198 E-ISSN:1097-0231 0951-4198 http://hdl.handle.net/10026.1/11086 doi:10.1002/rcm.8101 1097-0231 2019-03-06 Not known Journal Article 2018 ftunivplympearl https://doi.org/10.1002/rcm.8101 2021-03-09T18:35:49Z 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. Article in Journal/Newspaper Arctic Sea ice PEARL (Plymouth Electronic Archiv & ResearchLibrary, Plymouth University) Arctic Rapid Communications in Mass Spectrometry 32 10 775 783 |
institution |
Open Polar |
collection |
PEARL (Plymouth Electronic Archiv & ResearchLibrary, Plymouth University) |
op_collection_id |
ftunivplympearl |
language |
English |
description |
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. |
format |
Article in Journal/Newspaper |
author |
Rontani, J-F Aubert, C Belt, ST |
spellingShingle |
Rontani, J-F Aubert, C Belt, ST EIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments. |
author_facet |
Rontani, J-F Aubert, C Belt, ST |
author_sort |
Rontani, J-F |
title |
EIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments. |
title_short |
EIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments. |
title_full |
EIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments. |
title_fullStr |
EIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments. |
title_full_unstemmed |
EIMS Fragmentation and MRM quantification of bacterial metabolites of the sea ice biomarker proxy IP25in Arctic sediments. |
title_sort |
eims fragmentation and mrm quantification of bacterial metabolites of the sea ice biomarker proxy ip25in arctic sediments. |
publisher |
Wiley |
publishDate |
2018 |
url |
http://hdl.handle.net/10026.1/11086 https://doi.org/10.1002/rcm.8101 |
geographic |
Arctic |
geographic_facet |
Arctic |
genre |
Arctic Sea ice |
genre_facet |
Arctic Sea ice |
op_relation |
ISSN:0951-4198 E-ISSN:1097-0231 0951-4198 http://hdl.handle.net/10026.1/11086 doi:10.1002/rcm.8101 1097-0231 |
op_rights |
2019-03-06 Not known |
op_doi |
https://doi.org/10.1002/rcm.8101 |
container_title |
Rapid Communications in Mass Spectrometry |
container_volume |
32 |
container_issue |
10 |
container_start_page |
775 |
op_container_end_page |
783 |
_version_ |
1766326012013969408 |