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Gas chromatography–mass spectrometry of sapucainha oil (Carpotroche brasiliensis) triacylglycerols comprising straight chain and cyclic fatty acids
Analytical and Bioanalytical Chemistry ( IF 3.8 ) Pub Date : 2019-01-22 , DOI: 10.1007/s00216-019-01579-7
Habtewold D. Waktola , Chadin Kulsing , Yada Nolvachai , Claudia M. Rezende , Humberto R. Bizzo , Philip J. Marriott

Sapucainha oil, which may be used to treat leprosy, comprises straight chain and cyclic fatty acids (FA), and triacylglycerols (TAG). The FA and TAG content of the oil sample was analysed using gas chromatography–electron ionisation mass spectrometry (GC–EIMS). FA analysis was performed after derivatisation to fatty acid methyl esters (FAME). For free FA and TAG analysis, the oil sample was dissolved in hexane and injected into a short, high-temperature column, for GC with MS analysis. Free FA and FAME were tentatively identified based on mass spectrum information of their molecular and fragment ions, as well as library matching. Overlapping TAG peaks were deconvoluted based on mass fingerprint data. The FA composition was utilised to predict possible TAG identities. FA residues of TAG were identified based on characteristic fragment ions, such as [M–RCO2]+, [RCO+128]+, [RCO+74]+ and RCO+ where R is the aliphatic hydrocarbon chain. FAME analysis showed that the cyclic FA hydnocarpic (36.1%), chaulmoogric (26.5%) and gorlic (23.6%) acids were the major components. In addition, straight chain FA such as palmitic, palmitoleic, stearic, oleic and linoleic acids were detected. Palmitic, oleic, hydnocarpic, chaulmoogric and gorlic acids were also detected as free FA in the oil sample. Six groups of TAG peaks were eluted from GC at temperatures ≥330 °C. After deconvolution and mass spectrum analysis, each TAG peak group was revealed to comprise 2 to 5 co-eluted TAG molecules; >18 TAG were identified. These TAG consisted of a mix of both cyclic and straight chain FA, but were mostly derived from cyclic FA.



中文翻译:

sapucainha油的气相色谱-质谱法(巴西香菜)含直链和环状脂肪酸的三酰基甘油

Sapucainha油可用于治疗麻风病,它包含直链和环状脂肪酸(FA)和三酰基甘油(TAG)。使用气相色谱-电子电离质谱(GC-EIMS)分析了油样中的FA和TAG含量。衍生化为脂肪酸甲酯(FAME)后进行FA分析。为了进行免费的FA和TAG分析,将油样溶解在己烷中,然后注入一个短的高温柱中,以进行带有MS分析的GC。根据其分子和碎片离子的质谱信息以及库匹配,初步确定了游离FA和FAME。基于大量指纹数据对重叠的TAG峰进行反卷积。FA组成被用来预测可能的TAG身份。TAG的FA残基是根据特征碎片离子鉴定的,2 ] +,[RCO + 128] +,[RCO + 74] +和RCO +其中R是脂族烃链。FAME分析表明,环状FA角果酸(36.1%),甘蔗糖酸(26.5%)和大果酸(23.6%)是主要成分。另外,检测到直链FA,例如棕榈酸,棕榈油酸,硬脂酸,油酸和亚油酸。在油样中,棕榈酸,油酸,角果酸,甘蔗糖酸和大果酸也被检测为游离脂肪酸。在≥330°C的温度下,从GC洗脱出六组TAG峰。解卷积和质谱分析后,发现每个TAG峰组均包含2至5个共洗脱的TAG分子。鉴定出> 18个TAG。这些TAG由环状和直链FA的混合物组成,但主要来自环状FA。

更新日期:2019-01-22
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