Creation of a Plant Metabolite Spectral Library for Untargeted and Targeted Metabolomics

ABSTRACT: Large-scale high throughput metabolomic technologies are indispensable components of systems biology in terms of discovering and defining the metabolite parts of the system. However, the lack of a plant metabolite spectral library limited the metabolite identification of plant metabolomics study. Here we have created a plant metabolite spectral library using 544 authentic standards, which increased the efficiency of identification for untargeted metabolomic studies. The process of creating the spectral library was described and the mzVault library was deposited in the public repository for free download. Furthermore, based on the spectral library, we describe a process of creation of a pseudo-targeted method, which was applied to a proof-of-concept study of Ara-bidopsis leaf extracts. As authentic standards become available, more metabolite spectra can be easily incorporated into the spectral library to improve the mzVault package.

INSTRUMENT(S): LTQ Orbitrap Elite

ORGANISM(S): Arabidopsis Thaliana (ncbitaxon:3702)

SUBMITTER: Sixue Chen  

PROVIDER: MSV000090829 | MassIVE | Sat Dec 03 21:18:00 GMT 2022

REPOSITORIES: MassIVE