Journal
CURRENT OPINION IN BIOTECHNOLOGY
Volume 54, Issue -, Pages 10-17Publisher
CURRENT BIOLOGY LTD
DOI: 10.1016/j.copbio.2018.01.008
Keywords
-
Funding
- JSPS KAKENHI [15K01812]
- Grants-in-Aid for Scientific Research [15K01812] Funding Source: KAKEN
Ask authors/readers for more resources
Mass spectrometry (MS)-based metabolomics is the popular platform for metabolome analyses. Computational techniques for the processing of MS raw data, for example, feature detection, peak alignment, and the exclusion of false positive peaks, have been established. The next stage of untargeted metabolomics would be to decipher the mass fragmentation of small molecules for the global identification of human-, animal-, plant-, and microbiota metabolomes, resulting in a deeper understanding of metabolisms. This review is an update on the latest computational metabolomics including known/expected structure databases, chemical ontology classifications, and mass spectrometry cheminformatics for the interpretation of mass fragmentations and for the elucidation of unknown metabolites. The importance of metabolome 'databases' and 'repositories' is also discussed because novel biological discoveries are often attributable to the accumulation of data, to relational databases, and to their statistics. Lastly, a practical guide for metabolite annotations is presented as the summary of this review.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available