Data Article Q3 Identification of primary and secondary metabolites and transcriptome profile of soybean tissues during different stages of hypoxia Isabel Duarte Coutinho a,c,n,1 , Liliane Marcia Mert Henning b,1 , Silas Aurelian Döpp c , Alexandre Nepomuceno b , Larissa Alexandra Cardoso Moraes b , Juliana Marcolino-Gomes b , Christian Richter c , Harald Schwalbe c , Luiz Alberto Colnago a a Embrapa Q4 Instrumentação, Rua XV de Novembro, 1452, São Carlos 13560-970, São Paulo, Brazil b Embrapa Soja, Rodovia Carlos João Strass, Distrito de Warta, Londrina 86001-970, Paraná, Brazil c Center for Q5 Biomolecular Magnetic Resonance, Johann Wolfgang Goethe-University Frankfurt, Max-von Laue-Str. 7, Frankfurt/M. 60438 Germany article info Article history: Received 31 May 2018 Received in revised form 7 July 2018 Accepted 30 September 2018 Keywords: Soybean Nuclear magnetic resonance Primary metabolites Secondary metabolites abstract NMR and chromatography methods combined with mass spectro- metry 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 1 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 1 H NMR spectra and natural variation of plant. Related to spectra overlap, alternatively, better resolution can be find using 1 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 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Contents lists available at ScienceDirect journal homepage: www.elsevier.com/locate/dib Data in Brief https://doi.org/10.1016/j.dib.2018.09.122 2352-3409/& 2018 The Authors. Published by Elsevier Inc. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). DOI of original article: https://doi.org/10.1016/j.envexpbot.2018.05.018 n Corresponding author at: Embrapa Instrumentação, Rua XV de Novembro, 1452, São Carlos 13560-970, São Paulo, Brazil. E-mail address: isadcoutinho@hotmail.com (I.D. Coutinho). 1 These authors contributed equally to this work. Please cite this article as: I.D. Coutinho, et al., Identification of primary and secondary metabolites and transcriptome profile of soybean tissues during different stages of hypoxia, Data in Brief (2018), https://doi.org/10.1016/j.dib.2018.09.122i Data in Brief ∎ (∎∎∎∎) ∎∎∎–∎∎∎