The document outlines standards for metabolomics experiments including sample preparation, chemical analysis techniques, and data analysis methods. It discusses checklists created by the Metabolomics Standards Initiative and Critical Assessment of Metabolite Identification to ensure reproducibility and validation of metabolomics studies. The checklists cover areas like sample types, instrumentation, data preprocessing, and modeling. Efforts are underway to integrate these standards into reporting guidelines and software tools to improve data sharing and study quality.

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