Data for: Assessment of metabolic variability and diversity present in leaf, peel and pulp tissue of diploid and triploid Musa spp.

The files contain data obtained from GCMS (single quadrupole), UPLC-PDA and LCMS (LC-QTof).
The sample preparation with internal standard and sample analysis was performed as previously published for Musa tissue (Drapal et al., 2019). Samples were randomised and analysis performed in batches each including 20 samples, a quality control and an extraction blank. Aliquots for LC-ESI-QqTOF analysis (700 µl aqueous phase) were dried down and resuspended in methanol/water (100 µl, 1:1, v/v) under the addition of an internal standard. Homogentisic acid (5 µg/sample) was used for Fougamou and Mbi egome and genistein (2.5 µg/sample) for the diversity panel. Aliquots for UPLC-DAD analysis (700 µl organic phase) were dried down and resuspended in ethyl acetate/acetonitrile (1:9, v/v, leaf: 100 µl; peel and pulp: 50 µl). Aliquots for of peel and pulp sample extracts (140 µl aqueous phase) were dried down with an internal standard (d4-succinic acid, 10 µg/sample) and derivatised before analysis by GC-MS (EI, single quadrupole) in splitless mode with a temperature gradient of 70−325°C (Price et al., 2016). Data analysis and metabolite identification was also performed as previously reported for Musa tissue (Drapal et al., 2019). The resulting data tables comprised relative quantities (to the relevant internal standard) of metabolites detected by GC-MS and LC-MS and absolute quantities for metabolites measures by UPLC-DAD. All metabolites were expressed relative to the sample weight (µg/g dry wt.).

本数据集包含来自单四极杆气相色谱-质谱联用仪（GCMS, single quadrupole）、超高效液相色谱-光电二极管阵列检测器联用仪（UPLC-PDA）以及液相色谱-四极杆飞行时间质谱联用仪（LCMS, LC-QTof）获取的实验数据。
本研究采用内标法完成样品前处理与样品分析，实验流程参照已发表的芭蕉属（Musa）组织样品处理方案（Drapal等，2019）。所有样品经随机化处理后，以批次形式开展分析，每批次包含20份待测样品、1份质量控制样品及1份提取空白样品。
用于液相色谱-电喷雾串联四极杆飞行时间质谱（LC-ESI-QqTOF）分析的700 μL水相分装样品，经真空干燥后用甲醇-水混合液（100 μL，体积比1:1）复溶，同时加入内标物。针对Fougamou和Mbi egome样品，内标物选用尿黑酸（Homogentisic acid，5 μg/样品）；针对多样性种质样品，内标物则选用染料木素（genistein，2.5 μg/样品）。
用于超高效液相色谱-二极管阵列检测器（UPLC-DAD）分析的700 μL有机相分装样品，经真空干燥后用乙酸乙酯-乙腈混合液（体积比1:9）复溶，其中叶样品的复溶体积为100 μL，果皮和果肉样品的复溶体积为50 μL。
针对果皮和果肉样品提取物的140 μL水相分装样品，加入内标物氘代琥珀酸（d4-succinic acid，10 μg/样品）后干燥，经衍生化处理后，采用单四极杆气相色谱-质谱联用仪（GC-MS, EI源）以不分流进样模式开展分析，升温梯度设置为70−325℃，实验流程参照已发表方法（Price等，2016）。
数据分析与代谢物鉴定流程同样参照已发表的芭蕉属组织样品分析方案（Drapal等，2019）。
最终生成的数据表包含通过GC-MS和LC-MS检测得到的代谢物相对含量（以对应内标物计），以及通过UPLC-DAD定量得到的代谢物绝对含量。所有代谢物的含量均以样品干重为基准进行归一化，单位为μg/g干重。