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Multimolecular data processing and display in organic geochemistry: The evaluation of petroporphyrin GC-MS data
Authors:Christian B Eckardt  Lynne Dyas  Peter W Yendle  Geoffrey Eglinton
Abstract:A novel method for handling and presenting multimolecular abundance data, derived from gas chromatographic-mass spectrometric analyses (GC-MS), is introduced. The method facilitates carbon number labeling of compounds, specifically in the case of porphyrins, by means of a porphyrin-index, which is part of a novel identification code for porphyrins. Identification code, relative abundance and structure information of each compound recognised are stored in a database, which affords a variety of characteristic displays and tables upon manipulation. The combined facilities allow the direct comparison of samples of different origin, maturity and/or palaeoenvironment. Correlation studies, such as oil/oil or oil/source rock, are also facilitated by comparison of characteristic “fingerprint” histogram patterns. The ability of the method is exemplified through analysis of the porphyrin distributions of Boscan oil, La Luna shale, Gilsonite bitumen and Serpiano shale.
Keywords:porphyrins  GC-MS analysis  multimolecular dataprocessing  porphyrin identification code  porphyrin distributions
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