Untargeted LC–HRMS Intracellular Metabolomic Fingerprinting Reveals Isolate-Specific Chemical Biodiversity in Sugarcane-Derived Endophytic Bacteria

ABSTRACT:

Endophytic bacteria are underexplored reservoirs of molecular diversity. We compared the intracellular metabolomic fingerprints of three endophytic bacterial isolates from sugarcane (Saccharum officinarum), assigned to Streptomyces sp., Pantoea sp., and Paracoccus sp. Extracts from three independent biological replicates per isolate were analyzed by HILIC–UHPLC–HRMS in positive and negative electrospray ionization modes using MSE acquisition. After quality-control filtering, 5,110 features were retained in ESI+ and 6,563 in ESI−. Principal component analysis separated the three isolates, with the first two components explaining 81.5% and 79.8% of the variance, respectively. One-way ANOVA with false discovery rate correction identified 1,663 differential features in ESI+ and 1,097 in ESI− at an adjusted p-value 0.01. Annotation using MSE fragmentation data and manual curation retained 106 differential features assigned to 96 distinct putative annotation names, encompassing nucleotides, amino acids, peptides, lipids, carbohydrates, polyamines, and cofactors. These findings describe chemical differences among the three isolates under the tested culture conditions and identify candidate metabolites for structural confirmation.

INSTRUMENT(S): Liquid Chromatography MS - positive - hilic, Liquid Chromatography MS - negative - hilic

PROVIDER: MTBLS15815 | MetaboLights | 2026-10-08

REPOSITORIES: MetaboLights