Knowledge-based hybrid molecular network (KHMN)

ABSTRACT: Here, we proposed a general method of a knowledge-based hybrid molecular network (KHMN) that was coconstructed by untargeted metabolomics MS/MS spectra with heterogeneous MS/MS spectra of interesting specialized metabolites as initial seeds. Using antiherbivore metabolites in maize as an example, a KHMN was generated for the rapid screening and efficient annotation of as many specialized metabolites as possible. First, a priori specialized metabolites were collected as seed metabolites. The liquid chromatography (LC)-MS/MS database of the seed metabolites was established. Knowledge (characteristic fragmentation patterns and biotransformation reaction) was fully extracted from the MS/MS spectra of seed metabolites or priori knowledge. Then, a KHMN was coconstructed using heterogeneous and h

ORGANISM(S): Zea mays (NCBITaxon:4577)

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PROVIDER: S-BSST1188 | biostudies-other |

REPOSITORIES: biostudies-other