ArticleFrontiers in plant science2011
Mass spectra-based framework for automated structural elucidation of metabolome data to explore phytochemical diversity.
Article in Frontiers in plant science, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Development of phytochemical genomics: From decoding metabolome to functional genomics and biotechnology of plant metabolism.Proceedings of the Japan Academy. Series B, Physical and biological sciences · 2025Review
- Decoding Metabolic Reprogramming in Plants under Pathogen Attacks, a Comprehensive Review of Emerging Metabolomics Technologies to Maximize Their Applications.Metabolites · 2023Review
- Data Processing of Product Ion Spectra: Redundancy of Product Ion Spectra of Small Molecules in Data-Dependent Acquisition Dataset.Mass spectrometry (Tokyo, Japan) · 2023Article
- Exact mass GC-MS analysis: Protocol, database, advantages and application to plant metabolic profiling.Plant, cell & environment · 2022Article
- Chemical and Genotypic Variations inMolecules (Basel, Switzerland) · 2020Article
- The WEIZMASS spectral library for high-confidence metabolite identification.Nature communications · 2016Article
- Technical Challenges in Mass Spectrometry-Based Metabolomics.Mass spectrometry (Tokyo, Japan) · 2016Article
- Metabolic fingerprinting of Arabidopsis thaliana accessions.Frontiers in plant science · 2015Article
- Metabolome-genome-wide association study dissects genetic architecture for generating natural variation in rice secondary metabolism.The Plant journal : for cell and molecular biology · 2015Article
- Rethinking Mass Spectrometry-Based Small Molecule Identification Strategies in Metabolomics.Mass spectrometry (Tokyo, Japan) · 2014Article
- PRIMe Update: innovative content for plant metabolomics and integration of gene expression and metabolite accumulation.Plant & cell physiology · 2013Article
- Integrated LC-MS/MS system for plant metabolomics.Computational and structural biotechnology journal · 2013Review
- MetAlign 3.0: performance enhancement by efficient use of advances in computer hardware.Metabolomics : Official journal of the Metabolomic Society · 2012Article
- Plantmetabolomics.org: mass spectrometry-based Arabidopsis metabolomics--database and tools update.Nucleic acids research · 2012Article
- Editorial overview - computational approaches in aid of advancing understanding in plant physiology.Frontiers in plant science · 2011Article
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Authors and funding
7 authors.
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Abstract
A novel framework for automated elucidation of metabolite structures in liquid chromatography-mass spectrometer metabolome data was constructed by integrating databases. High-resolution tandem mass spectra data automatically acquired from each metabolite signal were used for database searches. Three distinct databases, KNApSAcK, ReSpect, and the PRIMe standard compound database, were employed for the structural elucidation. The outputs were retrieved using the CAS metabolite identifier for identification and putative annotation. A simple metabolite ontology system was also introduced to attain putative characterization of the metabolite signals. The automated method was applied for the metabolome data sets obtained from the rosette leaves of 20 Arabidopsis accessions. Phenotypic variations in novel Arabidopsis metabolites among these accessions could be investigated using this method.
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