Links
related
research partners
Superfund
Basic Research and Training Program
Center
for Environmental Health Science
Center
for Children's Environmental Health
Laboratory
of Pesticides and Biotechnology
UC
Davis Genome Center
Metabolomics at UC Davis
metabolomics
data sources
Metabolomics
Society
Metlin
metabolite database
allows search of metabolites by molecular mass and provides limited
number of CID metabolite spectra
KEGG
metabolism database
PubChem
public access database with information on small molecules
Metabolic
Pathways wall chart from Roche Applied Science
The
Golm Metabolome Database
provides public access to custom mass spectra libraries, metabolite
profiling experiments and other necessary information related to
the field of metabolomics
Human
Metabolome Project
ArMet
is a framework for the description of plant metabolomics experiments
and their results. As such it facilitates the development of systems
for the storage and dissemination of plant metabolomics experimental
data and provides a starting point for the development of community
data standards for the metabolomics community
Medical
Biochemistry
a page on medical biochemistry including a very informative sub
section on lipid metabolism
EcoCyc
Encyclopedia of Escherichia coli K12 Metabolism
Biocatalysis/Biodegradation
Database Microbial biocatalytic reactions and biodegradation
pathways primarily for xenobiotic, chemical compounds
Lipid
Bank
LIPID
MAPS
CyberLipids
SphinGOMAP
COPE
Cytokines
Online Pathfinder Encyclopaedia
ENZYME
Enzyme nomenclature database
BRENDA
The comprehensive enzyme information system
ESTHER
Database
contains information about esterases
metabolomics
research groups
The
National Centre for Plant and Microbial Metabolomics
Oliver
Fiehn Group (Max Plank site)
Fiehn
Laboratory (UC Davis site)
Scripps
Center for Mass Spectrometry
University
of Leiden (van der Greef)
Sumner
Group
metabolomics
and analytical chemistry meetings
List
of Analytical Chemistry Meetings
List
of Environmental Science Meetings
metabolomics
biotech companies
Lipomics
SurroMed
Metabolon
Human
Metabolome Technologies (HMT)
mass
spectrometry and chromatography
Ion
Source
One of the best mass spectrometry websites
CI-CID
MS libraries
CI-CID fragmentation was shown to be identical to ESI-CID
MS
Spectra Libraries for LC-MS/MS and ESI-in-source CID-MS for
Applied Biosystems/SCIEX API (1xx), 3xx, 2000, 3000, 4000
Overview
of comercially available mass spectrometers
List of commercially available mass spectrometers. This site also
contains other useful information on LC/MS
Chromatography
Forum Discuss issues of chromatography and mass spectrometry
with your colleagues worldwide
Mass
Spectrometry Newsgroup
data
analysis
Bioinformatics
Online Lectures
AMDIS
Automated Mass Spectral Deconvolution
and Identification System is a
computer program that extracts spectra for individual components
in a GC/MS data file and identifies target compounds by matching
these spectra against a reference library.
MSFACTs
is a custom
software package for alignment of GC/MS and LC/MS data to allow
visualization using commercial statistical packages.
COMSPARI
is the acronym for COMparison of SPectral
And Retention Information.
It is a software that has been written to facilitate the analysis
of "paired" samples, i.e. samples that are almost identical
yet present some qualitative difference.
Jörg's
Mass Spectrometry Page a collection of free MS data analysis
software
COWtool
allows the possibility to align chromatograms without any peak detections
by Correlation Optimised Warping
(COW) relying on a few easy selected parameters. COWTool can furthermore
be used to build a sample identification system directly from raw
chromatogram using principle adapted from image analysis.
Chemometric
Add-ins for Excel
ACD Labs software
packages ACD/MS
Processor and ACD/LC
Simulator
MZmine
is a platform-independent software for data processing needed in
differential analysis of LC/MS data, with applications in metabolomics
and proteomics.
XCMS
package for R reads
and processes LC/MS data stored in NetCDF (AIA/ANDI), mzXML, and
mzData files. It includes numerous options for visualizing and interacting
with that data. In addition, it includes functionality for peak
picking, non-linear retention time alignment, and relative quantitation.
It is capable of simultaneously preprocessing, analyzing, and visualizing
the raw data from hundreds of samples.
statistics
Statistics
Textbook
Good rerview of basic statistics concepts from the developers of
STATISTICA software
Statistics
Online Library
Online library accessible through UC Davis network
