LC-MS based plant metabolic profiles of thirteen grassland species grown in diverse neighbourhoods

In plants, secondary metabolite profiles provide a unique opportunity to explore seasonal variation and responses to the environment. These include both abiotic and biotic factors. In field experiments, such stress factors occur in combination. This variation alters the plant metabolic profiles in yet uninvestigated ways. This data set contains trait and mass spectrometry data of thirteen grassland species collected at four time points in the growing season in 2017. We collected above-ground vegetative material of seven grass and six herb species that were grown in plant communities with different levels of diversity in the Jena Experiment. For each sample, we recorded visible traits and acquired shoot metabolic profiles on a UPLC-ESI-Qq-TOF-MS. We performed the raw data pre-processing in Galaxy-W4M and prepared the data for statistical analysis in R by applying missing data imputation, batch correction, and validity checks on the features. This comprehensive data set provides the opportunity to investigate environmental dynamics across diverse neighbourhoods that are reflected in the metabolomic profile.

植物次生代谢物谱为探究季节变异及其对环境的响应提供了独特契机。此类环境因子涵盖非生物与生物胁迫两类。在田间试验中，这类胁迫因子往往复合存在，其会以尚未被探明的方式改变植物代谢谱。本数据集包含2017年生长季内4个时间点采集的13种草原物种的性状与质谱数据。我们采集了耶拿试验（Jena Experiment）中不同多样性水平植物群落内培育的7种禾草与6种草本植物的地上营养组织样本。针对每份样本，我们记录了其表观性状，并通过超高效液相色谱-电喷雾电离-三重四极杆飞行时间质谱（UPLC-ESI-Qq-TOF-MS）获取了植株地上部分的代谢谱。我们依托Galaxy-W4M平台完成原始数据预处理，并通过R语言对数据进行缺失值插补、批次校正及特征有效性校验，以完成统计分析前的数据准备工作。这份全面的数据集为探究反映在代谢组谱中的多样群落生境下的环境动态提供了支撑。