Monday, 26 August 2013

Most Abundant Compounds in their Elution Order for Arabidopsis Sample

Last week I got this question asked:

"... I might as well ask if you know of a source of peak identification for typical Arabidopsis rosette polar compounds derivatized to typical MeOX/TMS forms (sugars, organic acids, amino acids, etc. obtained from a typical MeOH/H20 extraction)? I am trying to identify the most abundant polar compounds (top 100 or so) in Arabidopsis leaf tissue but I have limited access to standards and I am sure this has already been done. Here is what I would ideally need: a list of the most abundant compounds in their elution order on a ms5 column or similar with spectra. Any idea if such a list can be found on the GMD site or elsewhere?"

Friday, 28 June 2013

Metabolomics Society 2013 Conference

If you are going to the Metabolomics Society 2013 Conference in Glasgow next week then I hope to see you there. Stop by the poster P9-12 during poster session II and say hi! There is a lot going on in Metabolomics and we will be reporting on some of our latest developments towards Big Data science. I also post the link to our last year's poster from the Metabolomics Society 2012 Conference in Washington, DC.
During this year's Metabolomics Society Award Ceremony our work on Decision tree supported substructure prediction of metabolites from GC-MS profiles will be award 2013 Best Paper Runner up for the second highest total number of citations during the previous three years. Wow! What a pleasant surprise.

Wednesday, 12 June 2013

Cross Experiment Comparison of One Metabolite

The cross experiment control on the metabolite detail page has been updated to convey more information at glance. Instead of a big box plot comparing all experiments to one another, a list with experiments has been added. Each row consists of a heat map and a tiny box plot, as well as the experiment name, organism, the variance, the anova F score and the main experimental conditions. When hovering above a row, a bigger version of the box plot with more detailed experimental conditions appears.