1. 01/12/10 MSI/CIMR -MIBBI Workshop 2010 1
Metabolomics: MSI CIMR
Checklists in Metabolomics 3 (2007)
1. Samples
In vivo / mammalian biology
microbial and in vitro biology
plant biology
environmental
2. Chemical analysis
Sample prep,
Chromatography, MS, NMR, FT-IR,
QA and method validation,
data preprocessing, metabolite ID,
stable isotopes and flux analysis
3. Data analysis
Data reduction/deconvolution,
Pre-processing,
Algorithm selection,
(Univariate analysis,)
Unsupervised methods,
Supervised learning,
Model generality,
Model validation

2. 01/12/10 MSI/CIMR -MIBBI Workshop 2010 2
Level of implementation
● Metabolomics requires reviewers to use
checklists
● Software
● Working towards a FuGE extension
● Plant Biology
– Growth, Harvest, Storage
● NMR, GC-MS, LC-MS (from PSI)
● Data analysis ???
● EU Framework VI project "META-PHOR": Food-ST-
2006-03622 (ended)

3. 01/12/10 MSI/CIMR -MIBBI Workshop 2010 3
Status, contributors, funding
● Many contributors to the checklists
● Quiet after checklist
● Activity under META-PHOR
● Collaboration with PSI
● Continuing at Aber