Switchgrass (Panicum virgatum L.)
is a bioenergy crop that grows productively on lands not suitable
for food production and is an excellent target for low-pesticide input
biomass production. We hypothesize that resistance to insect pests
and microbial pathogens is influenced by low-molecular-weight compounds
known as specialized metabolites. We employed untargeted liquid chromatography–mass
spectrometry, quantitative gas chromatography–mass spectrometry
(GC–MS), and nuclear magnetic resonance spectroscopy to identify
differences in switchgrass ecotype metabolomes. This analysis revealed
striking differences between upland and lowland switchgrass metabolomes
as well as distinct developmental profiles. Terpenoid- and polyphenol-derived
specialized metabolites were identified, including steroidal saponins,
di- and sesqui-terpenoids, and flavonoids. The saponins are particularly
abundant in switchgrass extracts and have diverse aglycone cores and
sugar moieties. We report seven structurally distinct steroidal saponin
classes with unique steroidal cores and glycosylated at one or two
positions. Quantitative GC–MS revealed differences in total
saponin concentrations in the leaf blade, leaf sheath, stem, rhizome,
and root (2.3 ± 0.10, 0.5 ± 0.01, 2.5 ± 0.5, 3.0 ±
0.7, and 0.3 ± 0.01 μg/mg of dw, respectively). The quantitative
data also demonstrated that saponin concentrations are higher in roots
of lowland (ranging from 3.0 to 6.6 μg/mg of dw) than in upland
(from 0.9 to 1.9 μg/mg of dw) ecotype plants, suggesting ecotypic-specific
biosynthesis and/or biological functions. These results enable future
testing of these specialized metabolites on biotic and abiotic stress
tolerance and can provide information on the development of low-input
bioenergy crops.