Identification and quantitation of key odorants in mead

Identification and quantitation of key aroma compounds present in polish traditional mead „trójniak” using gas chromatography-olfactometry and gas chromatography-mass spectrometry in mead and intermediate production stages (bee honey, 1st day of fermentation, 30th day of fermentation).Project context: The project focuses on investigating key odorants in mead, the possible pathways of their formation, and the changes in their concentrations during the production process. It also examines the influence of different honey varieties, fermentation types, and manufacturing processes.Sofware used: ChromSpace (SRA Instruments Spa, Italy), Xcalibur (Thermo Fisher Scientific, Dreieich, Germany), LECO ChromaTOF v.4.44 (LECO, Mönchengladbach, Germany), Agilent Technologies MassHunter Workstation (Agilent, Waldbronn, Germany), Microsoft Excel (Microsoft Corporation, Redmond, Washington, USA).Files included: the dataset consist on 12 files: odor reconstitution.csv and odor reconstitution.xlsx (data collected during the odor reconstitution experiments); Odorants identification in mead.csv and; Odorants identification in mead.xlsx (odor-active compounds, their CAS numbers and odor descriptions, Retention Indices, Flavor Dilution Factors, and identification methods collected during the identification of odorants by using gas chromatography olfactometry and gas chromatography mass spectrometry); Odorants quantitation in mead.csv and Odorants quantitation in mead.xlsx (concentrations of odor-active compounds in mead and in the production stages); Omission experiments.csv and Omission experiments.xml (data collected in triangle sensory tests during omission experiments); Profile Sensory Analysis data.csv and Profile Sensory Analysis data.xlsx (data collected during Quantitative Profile Sensory Analysis in mead); Quantitation details.csv and Quantitation details.xlsx (details of the quantitation: isotopically labeled standards used in quantitation, quantifier ions, calibration line equations, R2). Files Quantitation details are supplementary material for file Odorants quantitation and should be used together.Abbreviations: F.30, F.1,-1st and 30th day of fermentation, endings _01, _02 and _03 indicates the repetition.Dataset contains a ReadMe.txt file.

采用气相色谱-嗅闻法（gas chromatography-olfactometry）与气相色谱-质谱联用法（gas chromatography-mass spectrometry），对波兰传统蜂蜜酒"trójniak"及其生产中间阶段（原料蜂蜜、发酵第1天、发酵第30天）中的关键香气化合物开展鉴定与定量分析。

项目背景：本项目旨在探究蜂蜜酒中的关键呈味物质、其潜在形成路径，以及生产过程中其浓度的动态变化；同时考察不同蜂蜜品种、发酵方式与生产工艺对上述物质的影响。

所用软件：意大利SRA Instruments Spa公司的ChromSpace、德国赛默飞世尔科技（Thermo Fisher Scientific）的Xcalibur、德国LECO公司的LECO ChromaTOF v.4.44、德国安捷伦科技（Agilent Technologies）的MassHunter工作站，以及美国微软公司（Microsoft Corporation）的Microsoft Excel。

数据集包含文件：本数据集共计12个文件，详情如下：
1. 气味重构实验数据集：'odor reconstitution.csv'与'odor reconstitution.xlsx'，收录气味重构实验采集的相关数据；
2. 蜂蜜酒呈味物质鉴定数据集：'Odorants identification in mead.csv'与'Odorants identification in mead.xlsx'，收录通过气相色谱-嗅闻法与气相色谱-质谱联用法鉴定气味活性化合物时得到的信息，包括化合物的CAS号、气味描述、保留指数、风味稀释因子及鉴定方法；
3. 蜂蜜酒呈味物质定量数据集：'Odorants quantitation in mead.csv'与'Odorants quantitation in mead.xlsx'，收录蜂蜜酒及各生产阶段中气味活性化合物的浓度数据；
4. 遗漏实验数据集：'Omission experiments.csv'与'Omission experiments.xml'，收录遗漏实验中三角感官测试的采集数据；
5. 感官剖面分析数据集：'Profile Sensory Analysis data.csv'与'Profile Sensory Analysis data.xlsx'，收录蜂蜜酒定量剖面感官分析的采集数据；
6. 定量细节数据集：'Quantitation details.csv'与'Quantitation details.xlsx'，收录定量分析的详细参数，包括定量所用的同位素标记内标、定量离子、校准曲线方程及决定系数R²。其中'Quantitation details'文件为'Odorants quantitation'文件的补充材料，需配合使用。

缩写说明：F.30、F.1分别代表发酵第30天与发酵第1天，文件名后缀'_01'、'_02'与'_03'表示实验重复次数。

本数据集包含'ReadMe.txt'文件。