Coutinho Isabel Duarte, Henning Liliane Marcia Mert, Döpp Silas Aurelian, Nepomuceno Alexandre, Moraes Larissa Alexandra Cardoso, Marcolino-Gomes Juliana, Richter Christian, Schwalbe Harald, Colnago Luiz Alberto
Embrapa Instrumentação, Rua XV de Novembro, 1452, São Carlos 13560-970, São Paulo, Brazil.
Center for Biomolecular Magnetic Resonance, Johann Wolfgang Goethe-University Frankfurt, Max-von Laue-Str. 7, Frankfurt/M. 60438 Germany.
Data Brief. 2018 Oct 15;21:1089-1100. doi: 10.1016/j.dib.2018.09.122. eCollection 2018 Dec.
NMR and chromatography methods combined with mass spectrometry are the most important analytical techniques employed for plant metabolomics screening. Metabolomic analysis integrated to transcriptome screening add an important extra dimension to the information flow from DNA to RNA to protein. The most useful NMR experiment in metabolomics analysis is the proton spectra due the high receptivity of H and important structural information, through proton-proton scalar coupling. Routinely, databases have been used in identification of primary metabolites, however, there is currently no comparable data for identification of secondary metabolites, mainly, due to signal overlap in normal H NMR spectra and natural variation of plant. Related to spectra overlap, alternatively, better resolution can be find using H pure shift and 2D NMR pulse sequence in complex samples due to spreading the resonances in a second dimension. Thus, in data brief we provide a catalogue of metabolites and expression levels of genes identified in soy leaves and roots under flooding stress.
核磁共振(NMR)和色谱方法与质谱联用是用于植物代谢组学筛选的最重要分析技术。与转录组筛选相结合的代谢组学分析为从DNA到RNA再到蛋白质的信息流增添了重要的额外维度。在代谢组学分析中,最有用的NMR实验是质子谱,这是因为氢(H)的高灵敏度以及通过质子-质子标量耦合提供的重要结构信息。通常,数据库已用于鉴定初级代谢产物,然而,目前尚无用于鉴定次级代谢产物的可比数据,主要是由于常规氢核磁共振谱中的信号重叠以及植物的自然变异。与光谱重叠相关的是,在复杂样品中,由于在第二维度上扩展了共振,使用氢纯位移和二维核磁共振脉冲序列可以获得更好的分辨率。因此,在本数据简报中,我们提供了在淹水胁迫下大豆叶片和根中鉴定出的代谢产物目录和基因表达水平。