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通过正离子模式对叶片提取物中的植物化学成分进行液相色谱-四极杆-飞行时间质谱(LC-Q-TOF/MS)初步鉴定的数据集。

Dataset on LC-Q-TOF/MS tentative identification of phytochemicals in the extract of leaf through positive ionization.

作者信息

Alara Oluwaseun Ruth, Abdurahman Nour Hamid, Ukaegbu Chinonso Ishmael, Hassan Zulkafli, Kabbashi Nassereldeen Ahmed

机构信息

Centre of Excellence for Advanced Research in Fluid Flow (CARIFF), Universiti Malaysia Pahang, Lebuhraya Tun Razak, 26300 Gambang, Pahang, Malaysia.

Faculty of Chemical and Natural Resources Engineering, Universiti Malaysia Pahang, Lebuhraya Tun Razak, 26300 Gambang, Pahang, Malaysia.

出版信息

Data Brief. 2018 Nov 3;21:1686-1689. doi: 10.1016/j.dib.2018.10.159. eCollection 2018 Dec.

Abstract

The tentative identification of bioactive compounds in the extract of leaf was carried out using positive ionization of Liquid chromatography-mass spectrometry quadrupole time of flight (LC-Q-TOF/MS). The positive ionization is associated with the presence of saponins, flavonoids, alkaloids, terpenoids, and glycosides. Tentative assignments of the secondary metabolites were performed by comparing the MS fragmentation patterns with Waters® UNIFY library which allows positive identification of the compounds based on the spectral match. All the metabolites compounds were estimated and presented in a BPI (Base peak intensity) plot. These data are the unpublished supplementary materials related to "Ethanolic extraction of bioactive compounds from leaf using response surface methodology as an optimization tool" (Alara et al., 2018).

摘要

利用液相色谱 - 质谱四极杆飞行时间(LC - Q - TOF/MS)的正离子模式对叶片提取物中的生物活性化合物进行了初步鉴定。正离子模式与皂苷、黄酮类化合物、生物碱、萜类化合物和糖苷的存在有关。通过将质谱裂解模式与沃特世® UNIFY库进行比较,对次生代谢产物进行了初步归属,该库可基于光谱匹配对化合物进行准确鉴定。所有代谢物化合物都进行了估算,并以总离子流图(BPI)呈现。这些数据是与“使用响应面法作为优化工具从叶片中乙醇提取生物活性化合物”(阿拉拉等人,2018年)相关的未发表补充材料。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bb3/6249520/aed2a49d2c0b/gr1.jpg

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