"MTBLS679_preprocessing" history (W4M00008)

Workflow4Metabolomics Object Identifier: W4M00008

Digital Object Identifier: 10.15454/1.5640497789529167E12

Creator of the history: Sue Marr

Maintainer: S. Marr, smarr@ipb-halle.de

Creation|Updating date: 2019-07-14

Format: Workflow4Metabolomics Galaxy histories

W4M History: https://galaxy.workflow4metabolomics.org/histories/list_published

Size39.92 Go

Keywords: UPLC-MS, secondary metabolites, grassland plant species


Study: Raw UPLC-ESI-QToF-MS data were obtained from leaf and stem material of 13 grassland plant species. The plants were grown in and collected from the Jena Experimen at 4 timepoints (May, July, August, October) in the growing season 2017. Each species was grown in plots with different diversity levels (either 1, 2, 4 or 8 species per plot) and samples were collected on dry ice. The frozen fresh material was ground and extracted in 80% methanol prior to measurements on an ACQUITY UPLC (Waters) coupled to an ESI-micrOToF-Q-II (Bruker).  
Dataset: A quality control (QC; a pool of all extracted samples) was measured multiple times along all measurements (511 samples in 12 batches) to control for intensity shifts and system stability. Raw data files were converted to the mzML file format and uploaded as a collection to W4M along with their metadata.
Workflow: The W4M history workflow uses the peak picking, grouping and retention time correction tools prior to a CAMERA analysis. The pre-processed data are then filtered for the region of interest (ROI) between 80 and 840 seconds.



 Rights:  CC0


  • N/A

Raw data repository


Please find more referenced W4M histories here.