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Open AccessArticle

Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry

1
Laboratoire de Physique des Interactions Ioniques et Moléculaires (PIIM), Université Aix-Marseille, Saint Jérôme—AVE Escadrille Normandie Niemen, 13013 Marseille, France
2
Institut de Chimie des Milieux et Matériaux de Poitiers (IC2MP), Université de Poitiers, UMR CNRS 7285, 86073 Poitiers, France
*
Authors to whom correspondence should be addressed.
Received: 30 March 2019 / Revised: 13 April 2019 / Accepted: 23 April 2019 / Published: 2 May 2019
(This article belongs to the Special Issue Analytical Chemistry in Astrobiology)
Meteorites have been found to be rich and highly diverse in organic compounds. Next to previous direct infusion high resolution mass spectrometry experiments (DI-HR-MS), we present here data-driven strategies to evaluate UPLC-Orbitrap MS analyses. This allows a comprehensive mining of structural isomers extending the level of information on the molecular diversity in astrochemical materials. As a proof-of-concept study, Murchison and Allende meteorites were analyzed. Both, global organic fingerprint and specific isomer analyses are discussed. Up to 31 different isomers per molecular composition are present in Murchison suggesting the presence of ≈440,000 different compounds detected therein. By means of this time-resolving high resolution mass spectrometric method, we go one step further toward the characterization of chemical structures within complex extraterrestrial mixtures, enabling a better understanding of organic chemical evolution, from interstellar ices toward small bodies in the Solar System. View Full-Text
Keywords: astrochemistry; meteorites; high-resolving analytical chemistry; data analysis; origin of life astrochemistry; meteorites; high-resolving analytical chemistry; data analysis; origin of life
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MDPI and ACS Style

Ruf, A.; Poinot, P.; Geffroy, C.; Le Sergeant d’Hendecourt, L.; Danger, G. Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry. Life 2019, 9, 35.

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