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EIMS Fragmentation Pathways and MRM Quantification of 7a/ß-Hydroxy-Dehydroabietic Acid TMS Derivatives.

https://arctichealth.org/en/permalink/ahliterature264371
Source
J Am Soc Mass Spectrom. 2015 Jul 3;
Publication Type
Article
Date
Jul-3-2015
Author
Jean-François Rontani
Claude Aubert
Simon T Belt
Source
J Am Soc Mass Spectrom. 2015 Jul 3;
Date
Jul-3-2015
Language
English
Publication Type
Article
Abstract
EI mass fragmentation pathways of TMS derivatives ?f 7a/ß-hydroxy-dehydroabietic acids resulting from NaBH4-reduction of oxidation products of dehydroabietic acid (a component of conifers) were investigated and deduced by a combination of (1) low energy CID-GC-MS/MS, (2) deuterium labeling, (3) different derivatization methods, and (4) GC-QTOF accurate mass measurements. Having identified the main fragmentation pathways, the TMS-derivatized 7a/ß-hydroxy-dehydroabietic acids could be quantified in multiple reaction monitoring (MRM) mode in sea ice and sediment samples collected from the Arctic. These newly characterized transformation products of dehydroabietic acid constitute potential tracers of biotic and abiotic degradation of terrestrial higher plants in the environment. Graphical Abstract ?.
PubMed ID
26138887 View in PubMed
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Electron ionization mass spectrometry fragmentation and multiple reaction monitoring quantification of bacterial metabolites of the sea ice biomarker proxy IP25 in Arctic sediments.

https://arctichealth.org/en/permalink/ahliterature290191
Source
Rapid Commun Mass Spectrom. 2018 May 30; 32(10):775-783
Publication Type
Journal Article
Date
May-30-2018
Author
Jean-François Rontani
Claude Aubert
Simon T Belt
Author Affiliation
Aix Marseille Univ, Université de Toulon, CNRS, IRD, MIO UM 110, 13288, Marseille, France.
Source
Rapid Commun Mass Spectrom. 2018 May 30; 32(10):775-783
Date
May-30-2018
Language
English
Publication Type
Journal Article
Abstract
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.
Electron ionization mass spectrometry (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 trimethylsilyl (TMS) derivatives were investigated. These pathways were deduced by: (i) low-energy collision-induced dissociation (CID) gas chromatography/tandem mass spectrometry (GC/MS/MS), (ii) accurate mass measurement, and (iii) deuterium labelling.
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.
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 IP25 in sediments.
PubMed ID
29508936 View in PubMed
Less detail

Electron ionization mass spectrometry fragmentation and multiple reaction monitoring quantification of bacterial metabolites of the sea ice biomarker proxy IP25 in Arctic sediments.

https://arctichealth.org/en/permalink/ahliterature295001
Source
Rapid Commun Mass Spectrom. 2018 May 30; 32(10):775-783
Publication Type
Journal Article
Date
May-30-2018
Author
Jean-François Rontani
Claude Aubert
Simon T Belt
Author Affiliation
Aix Marseille Univ, Université de Toulon, CNRS, IRD, MIO UM 110, 13288, Marseille, France.
Source
Rapid Commun Mass Spectrom. 2018 May 30; 32(10):775-783
Date
May-30-2018
Language
English
Publication Type
Journal Article
Keywords
Alkenes - analysis - metabolism
Arctic Regions
Bacteria - metabolism
Gas Chromatography-Mass Spectrometry - methods
Geologic Sediments - microbiology
Ice Cover - microbiology
Spectrometry, Mass, Electrospray Ionization - methods
Tandem Mass Spectrometry - methods
Terpenes - analysis - metabolism
Trimethylsilyl Compounds - analysis - metabolism
Abstract
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.
Electron ionization mass spectrometry (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 trimethylsilyl (TMS) derivatives were investigated. These pathways were deduced by: (i) low-energy collision-induced dissociation (CID) gas chromatography/tandem mass spectrometry (GC/MS/MS), (ii) accurate mass measurement, and (iii) deuterium labelling.
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.
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 IP25 in sediments.
PubMed ID
29508936 View in PubMed
Less detail