| Title: | Development of two-dimensional gas chromatography (GCxGC) coupled with Orbitrap-technology-based mass spectrometry: Interest in the identification of biofuel composition |
| Author(s): | Hung NV; Mohabeer C; Vaccaro M; Marcotte S; Agasse-Peulon V; Abdelouahed L; Taouk B; Cardinael P; |
| Address: | "Laboratoire SMS-EA3233, UNIROUEN, Normandie Universite, Place Emile Blondel, F-76821, Mont-Saint-Aignan Cedex, France. Laboratoire de Securite des Procedes Chimiques, LSPC EA-4704, Normandie Univ, INSA Rouen Normandie, UNIROUEN, 76000, Rouen, France. Normandie Universite, INSA de Rouen, UNIROUEN, CNRS, COBRA (UMR 6014), Avenue del'Universite, 76800, Saint-Etienne-du-Rouvray, France" |
| ISSN/ISBN: | 1096-9888 (Electronic) 1076-5174 (Linking) |
| Abstract: | "Comprehensive gas chromatography (GC) has emerged in recent years as the technique of choice for the analysis of volatile and semivolatile compounds in complex matrices. Coupling it with high-resolution mass spectrometry (MS) makes a powerful tool for identification and quantification of organic compounds. The results obtained in this study showed a significant improvement by using GCxGC-EI-MS in comparison with GC-EI-MS; the separation of chromatogram peaks was highly improved, which facilitated detection and identification. However, the limitation of Orbitrap mass analyzer compared with time-of-flight analyzer is the data acquisition rate; the frequency average was about 25 Hz at a mass resolving power of 15.000, which is barely sufficient for the proper reconstruction of the narrowest chromatographic peaks. On the other hand, the different spectra obtained in this study showed an average mass accuracy of about 1 ppm. Within this average mass accuracy, some reasonable elemental compositions can be proposed and combined with characteristic fragment ions, and the molecules can be identified with precision. At a mass resolving power of 7.500, the scan rate reaches 43 Hz and the GCxGC-MS peaks can be represented by more than 10 data points, which should be sufficient for quantification. The GCxGC-MS was also applied to analyze a cellulose bio-oil sample. Following this, a highly resolved chromatogram was obtained, allowing EI mass spectra containing molecular and fragment ions of many distinct molecules present in the sample to be identified" |
| Keywords: | Biofuels/*analysis Cellulose Gas Chromatography-Mass Spectrometry/*methods Pyrolysis Kendrick mass defect biofuel elemental composition gas chromatography comprehensive two dimensional proton affinity and internal energy; |
| Notes: | "MedlineHung, Nguyen Viet Mohabeer, Chetna Vaccaro, Marie Marcotte, Stephane Agasse-Peulon, Valerie Abdelouahed, Lokmane Taouk, Bechara Cardinael, Pascal eng Region Normandie/ England 2020/01/07 J Mass Spectrom. 2020 Mar; 55(3):e4495. doi: 10.1002/jms.4495. Epub 2020 Feb 6" |
