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Deciphering lipid structures based on platform-independent decision rules
- Source :
- Nature methods
- Publication Year :
- 2017
- Publisher :
- Springer Science and Business Media LLC, 2017.
-
Abstract
- We achieve automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry using decision rule sets embedded in Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2). Using various low- and high-resolution mass spectrometry instruments with several collision energies, we proved the method's platform independence. We propose that the software's reliability, flexibility, and ability to identify novel lipid molecular species may now render current state-of-the-art lipid libraries obsolete.
- Subjects :
- 0301 basic medicine
Computer science
Reliability (computer networking)
Tandem mass spectrometry
Mass spectrometry
computer.software_genre
Sensitivity and Specificity
01 natural sciences
Biochemistry
Article
Mice
03 medical and health sciences
Annotation
Software
Tandem Mass Spectrometry
Animals
Molecular Biology
Flexibility (engineering)
Platform independent
Molecular Structure
business.industry
010401 analytical chemistry
Reproducibility of Results
Cell Biology
Decision rule
Lipids
0104 chemical sciences
030104 developmental biology
Liver
Data mining
business
computer
Algorithms
Chromatography, Liquid
Biotechnology
Subjects
Details
- ISSN :
- 15487105 and 15487091
- Volume :
- 14
- Database :
- OpenAIRE
- Journal :
- Nature Methods
- Accession number :
- edsair.doi.dedup.....ee07da38382ffcc6bf11d73a22f3c1bd