Metabolomics

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Computational workflow to study the seasonal variation of secondary metabolites in nine different bryophytes

ABSTRACT: In Eco-Metabolomics, non-model organisms are typically studied in their natural environment and relations are made between biochemistry and ecological function. Current challenges when processing such data involve, among others, complex ecological experiment designs, peak detection parameter settings and high variation of metabolite profiles of different species. Here, we present a representative dataset generated from 108 samples of 9 bryophyte species obtained in four seasons using an untargeted liquid chromatography coupled with mass spectrometry (LC/MS) acquisition method. With this dataset, we address the challenges in data processing focusing on data import, analytical quality control and peak detection. We expect that this representative dataset will encourage researchers to conduct subsequent Eco-Metabolomics studies.

INSTRUMENT(S): micrOTOF-Q II ESI-Qq-TOF (Bruker)

PROVIDER: MTBLS520 | MetaboLights | 2018-06-18

REPOSITORIES: MetaboLights

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neg_01_Fistax_1-A,2_01_5715.mzML Mzml
neg_01_Fistax_1-A,2_01_6618.mzML Mzml
neg_01_Fistax_1-A,2_01_7158.mzML Mzml
neg_01_Fistax_1-A,2_01_7437.mzML Mzml
neg_02_Fistax_1-A,3_01_5716.mzML Mzml
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Computational workflow to study the seasonal variation of secondary metabolites in nine different bryophytes.

Peters Kristian K   Gorzolka Karin K   Bruelheide Helge H   Neumann Steffen S  

Scientific data 20180828

In Eco-Metabolomics interactions are studied of non-model organisms in their natural environment and relations are made between biochemistry and ecological function. Current challenges when processing such metabolomics data involve complex experiment designs which are often carried out in large field campaigns involving multiple study factors, peak detection parameter settings, the high variation of metabolite profiles and the analysis of non-model species with scarcely characterised metabolomes  ...[more]

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