European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus , Hinxton, Cambridge CB10 2HA, UK.
Syngenta Jealott's Hill International Research Centre , Bracknell, Berkshire RG42 6EY, UK.
Sci Data. 2014 Sep 16;1:140029. doi: 10.1038/sdata.2014.29. eCollection 2014.
Application of mass spectrometry enables the detection of metabolic differences between groups of related organisms. Differences in the metabolic fingerprints of wild-type Solanum lycopersicum and three monogenic mutants, ripening inhibitor (rin), non-ripening (nor) and Colourless non-ripening (Cnr), of tomato are captured with regard to ripening behaviour. A high-resolution tandem mass spectrometry system coupled to liquid chromatography produced a time series of the ripening behaviour at discrete intervals with a focus on changes post-anthesis. Internal standards and quality controls were used to ensure system stability. The raw data of the samples and reference compounds including study protocols have been deposited in the open metabolomics database MetaboLights via the metadata annotation tool Isatab to enable efficient re-use of the datasets, such as in metabolomics cross-study comparisons or data fusion exercises.
质谱分析的应用使得能够检测出相关生物群体之间的代谢差异。番茄野生型 Solanum lycopersicum 和三种单基因突变体（rin，nor 和 Cnr）的代谢指纹图谱在成熟行为方面存在差异。高分辨率串联质谱系统与液相色谱相结合，在离散时间间隔内产生了一系列成熟行为的时间序列，重点关注授粉后发生的变化。内部标准和质量控制用于确保系统稳定性。样品和参考化合物的原始数据，包括研究方案，已通过元数据注释工具 Isatab 存储在开放代谢组学数据库 MetaboLights 中，以便能够有效地重新使用这些数据集，例如在代谢组学交叉研究比较或数据融合练习中。
