New Mexico State University Nannochloropsis Positive Collection - Mass Spectral Peaklist/Nannochloropsis Positive Ion Mode - Test No. 3 - 300 degrees C

We illustrate a detailed compositional characterization of hydrothermal liquefaction (HTL) oils derived from two biochemically distinct microalgae, Nannochloropsis gaditana and Chlorella sp. (DOE 1412), for a range of reaction temperature as observed by high-resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS). The unique capability to unequivocally derive molecular formulae directly from FT-ICR MS-measured mass-to- charge ratio (for several thousand compounds in each oil) shows that lipids are completely reacted/converted for any reaction temperature above 200 degrees C and reveals the formation of non-lipid reaction products with increasing temperature. Specifically, lipid-rich oil is obtained at low reaction temperature (less than 225 degrees C) for both microalgal strains. For positive ion mode, the major lipid components in Chlorella sp. and N. gaditana HTL oils are betaine lipids and acylglycerols, respectively. Acidic species in the HTL oils (observed by negative ion mode) are dominated by free fatty acids (FFA) regardless of reaction temperature. HTL oils obtained at higher-temperatures (ge 225 degrees C) are comprised of a variety of basic nitrogen- and oxygen-containing compounds that originate from protein and carbohydrate degradation at elevated temperature. Similar structural features are observed for the abundant nitrogen heterocyclics between the two strains with slightly lower carbon number for Chlorella sp., overall.

本研究详细表征了两种生化特性迥异的微藻品系——微拟球藻（Nannochloropsis gaditana）与小球藻属（Chlorella sp.，编号DOE 1412）来源的水热液化（hydrothermal liquefaction, HTL）油的组成特征，实验采用高分辨电喷雾电离傅里叶变换离子回旋共振质谱（high-resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry, ESI FT-ICR MS）对一系列反应温度条件下的产物进行了分析。该技术可直接基于FT-ICR质谱测得的质荷比，明确推导单一样品中数千种化合物的分子式，研究结果显示：当反应温度高于200℃时，脂质可完全反应转化；且随着温度升高，体系中会生成非脂质类反应产物。具体而言，两种微藻品系在低于225℃的低温反应条件下，均可获得富脂质的HTL油。在正离子检测模式下，小球藻属与微拟球藻HTL油中的主要脂质成分分别为甜菜碱脂（betaine lipids）与酰基甘油（acylglycerols）。通过负离子模式检测到的HTL油酸性组分，无论反应温度高低，均以游离脂肪酸（free fatty acids, FFA）为主。当反应温度≥225℃时，所得HTL油含有多种含氮、氧的碱性化合物，此类产物源自高温环境下蛋白质与碳水化合物的降解。两种微藻品系来源的丰富含氮杂环化合物具有相似的结构特征，整体而言小球藻属来源产物的碳数略低。