Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry
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 iso...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2019-05-01
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| Series: | Life |
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| Online Access: | https://www.mdpi.com/2075-1729/9/2/35 |
| _version_ | 1811301594352844800 |
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| author | Alexander Ruf Pauline Poinot Claude Geffroy Louis Le Sergeant d’Hendecourt Gregoire Danger |
| author_facet | Alexander Ruf Pauline Poinot Claude Geffroy Louis Le Sergeant d’Hendecourt Gregoire Danger |
| author_sort | Alexander Ruf |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-13T07:11:23Z |
| format | Article |
| id | doaj.art-90573d0367a94a64928b142f17f32d99 |
| institution | Directory Open Access Journal |
| issn | 2075-1729 |
| language | English |
| last_indexed | 2024-04-13T07:11:23Z |
| publishDate | 2019-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Life |
| spelling | doaj.art-90573d0367a94a64928b142f17f32d992022-12-22T02:56:51ZengMDPI AGLife2075-17292019-05-01923510.3390/life9020035life9020035Data-Driven UPLC-Orbitrap MS Analysis in AstrochemistryAlexander Ruf0Pauline Poinot1Claude Geffroy2Louis Le Sergeant d’Hendecourt3Gregoire Danger4Laboratoire de Physique des Interactions Ioniques et Moléculaires (PIIM), Université Aix-Marseille, Saint Jérôme—AVE Escadrille Normandie Niemen, 13013 Marseille, FranceInstitut de Chimie des Milieux et Matériaux de Poitiers (IC2MP), Université de Poitiers, UMR CNRS 7285, 86073 Poitiers, FranceInstitut de Chimie des Milieux et Matériaux de Poitiers (IC2MP), Université de Poitiers, UMR CNRS 7285, 86073 Poitiers, FranceLaboratoire de Physique des Interactions Ioniques et Moléculaires (PIIM), Université Aix-Marseille, Saint Jérôme—AVE Escadrille Normandie Niemen, 13013 Marseille, FranceLaboratoire de Physique des Interactions Ioniques et Moléculaires (PIIM), Université Aix-Marseille, Saint Jérôme—AVE Escadrille Normandie Niemen, 13013 Marseille, FranceMeteorites 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.https://www.mdpi.com/2075-1729/9/2/35astrochemistrymeteoriteshigh-resolving analytical chemistrydata analysisorigin of life |
| spellingShingle | Alexander Ruf Pauline Poinot Claude Geffroy Louis Le Sergeant d’Hendecourt Gregoire Danger Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry Life astrochemistry meteorites high-resolving analytical chemistry data analysis origin of life |
| title | Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry |
| title_full | Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry |
| title_fullStr | Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry |
| title_full_unstemmed | Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry |
| title_short | Data-Driven UPLC-Orbitrap MS Analysis in Astrochemistry |
| title_sort | data driven uplc orbitrap ms analysis in astrochemistry |
| topic | astrochemistry meteorites high-resolving analytical chemistry data analysis origin of life |
| url | https://www.mdpi.com/2075-1729/9/2/35 |
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