Abstract
Compound identification in mass spectrometry based metabolomics can be a problem but sometimes the problem seems to be presented in an over complicated way. The current review focuses on metazoans where the range of metabolites is more restricted than for example in plants. The focus is on liquid chromatography with high resolution mass spectrometry where it is proposed that most of the problems in compound identification relate to structural isomers rather than to isobaric compounds. Thus many of the problems faced relate to separation of isomers, which is usually required even if fragmentation is used to support structural identification. Many papers report the use of MS/MS or MS(2) as an adjunct to the identification of known metabolites but there a few examples in metabolomics studies of metazoans of complete structure elucidation of novel metabolites or metabolites where no authentic standards are available for comparison.
| Language | English |
|---|---|
| Article number | e201301005 |
| Number of pages | 10 |
| Journal | Computational and Structural Biotechnology Journal |
| Volume | 4 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - Jan 2013 |
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Keywords
- rough guide
- metabolomic profiling
- metazoans
- metabolite identification
- high resolution liquid chromatography
- mass spectrometry
Cite this
}
A rough guide to metabolite identification using high resolution liquid chromatography mass spectrometry in metabolomic profiling in metazoans. / Watson, David G.
In: Computational and Structural Biotechnology Journal, Vol. 4, No. 5, e201301005, 01.2013.Research output: Contribution to journal › Article
TY - JOUR
T1 - A rough guide to metabolite identification using high resolution liquid chromatography mass spectrometry in metabolomic profiling in metazoans
AU - Watson, David G
PY - 2013/1
Y1 - 2013/1
N2 - Compound identification in mass spectrometry based metabolomics can be a problem but sometimes the problem seems to be presented in an over complicated way. The current review focuses on metazoans where the range of metabolites is more restricted than for example in plants. The focus is on liquid chromatography with high resolution mass spectrometry where it is proposed that most of the problems in compound identification relate to structural isomers rather than to isobaric compounds. Thus many of the problems faced relate to separation of isomers, which is usually required even if fragmentation is used to support structural identification. Many papers report the use of MS/MS or MS(2) as an adjunct to the identification of known metabolites but there a few examples in metabolomics studies of metazoans of complete structure elucidation of novel metabolites or metabolites where no authentic standards are available for comparison.
AB - Compound identification in mass spectrometry based metabolomics can be a problem but sometimes the problem seems to be presented in an over complicated way. The current review focuses on metazoans where the range of metabolites is more restricted than for example in plants. The focus is on liquid chromatography with high resolution mass spectrometry where it is proposed that most of the problems in compound identification relate to structural isomers rather than to isobaric compounds. Thus many of the problems faced relate to separation of isomers, which is usually required even if fragmentation is used to support structural identification. Many papers report the use of MS/MS or MS(2) as an adjunct to the identification of known metabolites but there a few examples in metabolomics studies of metazoans of complete structure elucidation of novel metabolites or metabolites where no authentic standards are available for comparison.
KW - rough guide
KW - metabolomic profiling
KW - metazoans
KW - metabolite identification
KW - high resolution liquid chromatography
KW - mass spectrometry
UR - http://journals.sfu.ca/rncsb/index.php/csbj
U2 - 10.5936/csbj.201301005
DO - 10.5936/csbj.201301005
M3 - Article
VL - 4
JO - Computational and Structural Biotechnology Journal
T2 - Computational and Structural Biotechnology Journal
JF - Computational and Structural Biotechnology Journal
SN - 2001-0370
IS - 5
M1 - e201301005
ER -