Unveiling the Chemical Composition of Sugar Cane Biocrudes by Liquid Chromatography–Tandem Mass Spectrometry

• Published in: Energy & fuels 2015-12, Vol.29 (12), p.8082-8087
• Main Authors: Garrett, Rafael, Barros, Thalita G, de Souza, Matheus O, da Costa, Bruna M. C, Pereira, Marcelo M, Miranda, Leandro S. M
• Format: Article
• Language: English
• Subjects: Biomass; Chemical composition; Chromatography; Fuels; Liquids; Mass spectrometry; Refineries; Sugar cane
• ISSN: 0887-0624; 1520-5029
• DOI: 10.1021/acs.energyfuels.5b02317

Sugar cane biomass is a rich and powerful source of carbon atoms for renewable fuel generation. However, its efficient introduction into the standard refinery installations is still a challenge. Recently, we have shown the possibility to produce gasoline compounds through refinery-friendly biocrudes obtained by one-pot hydrolysis–ketalization reaction of second-generation sugar cane biomass. Herein, we describe the development and validation of a liquid chromatography–triple quadruple mass spectrometry (LC–MS/MS) method to quantify four carbohydrate-derived O-isopropylidene ketals present in biocrudes obtained by different reaction conditions and also the identification of six other compounds based on MS/MS fragmentation experiments. The validated method was selective, precise, accurate, and linear over the range of 0.2–25 μg mL–1, with correlation coefficient values higher than 0.99. The reaction carried out at 90 °C for 3 h resulted in a biocrude with 34.2% (w/w) of biomass conversion and 38.1% formation of the monitored O-isopropylidene ketals, with xylose diacetonide being the most abundant and rapidly formed compound. In addition, disaccharides of pentose and pentose–hexose containing from one to three O-isopropylidene units have been identified. This LC–MS/MS analysis permitted a better understanding of the chemical composition of biocrudes and, therefore, could remarkably improve the possibility of tailor-made biocrudes in function of the regular refinery process.