Singh Tripti, Mathur Ashwani
Department of Biotechnology, Jaypee Institute of Information Technology, Noida, 201309, Uttar Pradesh, India.
Data Brief. 2025 May 31;61:111737. doi: 10.1016/j.dib.2025.111737. eCollection 2025 Aug.
The article reports data on chemical profiling of aqueous, methanolic, and n-hexane extract of field cultivated male using liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-mass spectrometry (GC-MS). Also, the elemental profiling of the soil was carried out using Inductively coupled plasma mass spectrometry (ICP-MS). The elemental analysis revealed the soil to be rich in iron, calcium, magnesium, sodium, and potassium while trace elements like copper, cobalt, zinc, and molybdenum comparatively were found to be in lesser amounts. The diverse catalogues of compounds, identified in plant extracts, belong to different phytocompound groups, including phenolics, flavonoids, fatty acids, and alcohol derivatives. The compounds, such as Trans-2-methyl-4-n-pentylthiane, 2-Azido-2,4,4,6,6,8,8-heptamethylnonane were identified (with a similarity score > 65) in n-hexane, while compounds like Arsenous acid, tris(trimethylsilyl) ester and (Tris(tert-butyldimethylsilyloxy) arsane were identified in methanolic extract. The aqueous extract revealed compounds such as 2-Amino-1,3,4-octadecanetriol and Safingol with the highest peak area run in positive mode while Oleanolic acid and Gingerol have the highest peak area run in negative mode. The suggestive association between soil elemental composition, abiotic factors and plant germplasm, on phytochemical profile is proposed.
该文章报道了利用液相色谱 - 质谱联用（LC - MS）和气相色谱 - 质谱联用（GC - MS）对田间种植的雄性植物的水提取物、甲醇提取物和正己烷提取物进行化学剖析的数据。此外，还使用电感耦合等离子体质谱（ICP - MS）对土壤进行了元素剖析。元素分析表明，土壤富含铁、钙、镁、钠和钾，而铜、钴、锌和钼等微量元素的含量相对较少。在植物提取物中鉴定出的各种化合物目录属于不同的植物化合物组，包括酚类、黄酮类、脂肪酸和醇衍生物。在正己烷中鉴定出了如反式 - 2 - 甲基 - 4 - 正戊基噻吩、2 - 叠氮基 - 2,4,4,6,6,8,8 - 七甲基壬烷等化合物（相似度得分>65），在甲醇提取物中鉴定出了如亚砷酸三（三甲基硅基）酯和（三（叔丁基二甲基硅氧基）砷烷等化合物。水提取物中鉴定出的化合物如2 - 氨基 - 1,3,4 - 十八烷三醇和沙芬醇在正模式下运行时具有最高峰面积，而齐墩果酸和姜辣素在负模式下运行时具有最高峰面积。文章提出了土壤元素组成、非生物因素与植物种质之间对植物化学特征的潜在关联。
