Profiling of the known-unknown Passiflora variant complement by liquid chromatography - Ion mobility - Mass spectrometry.

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ID: 189318
2021
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Abstract
Liquid Chromatography - Ion Mobility - Mass Spectrometry (LC-IM-MS) was utilized for non-targeted screening analysis to understand the variance in the composition of Passiflora species. Multivariate analysis was employed to explore a chemometric processing strategy for IM based Passiflora variant differentation. This approach was applied to the comparative analyses of extracts of the medicinal plants Passiflora alata, Passiflora edulis, Passiflora incarnata and Passiflora caerulea. In total, 255 occurrences of IM-MS resolved coeluting marker isomers and isobaric species were detected, providing increased coverage and specificity of species component markers compared to conventional LC-MS. A large proportion of medical plant phytochemical analysis information often remains redundant in that it is not phenotypic specific. Here, generation of Passiflora variant 'known-unknown' libraries has been used to compare Passiflora species to investigate unique variant features. Investigations of predicted collision cross section have enabled comparison of an element of the 'known-unknown' IM isomeric complement to be performed, facilitating a reduction in the number of possible variant unique isomeric identifications. In combination with spectral interpretation, it has been possible to resassign isomeric 'known-unknowns' as 'knowns'. The strategies employed illustrates the potential to facilitate identification of medicinal plant phytochemical components.
Reference Key
mccullagh2021profilingtalanta Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors McCullagh, Michael;Goshawk, Jeff;Eatough, David;Mortishire-Smith, Russell J;Pereira, Cintia Am;Yariwake, Janete H;Vissers, Johannes Pc;
Journal Talanta
Year 2021
DOI
S0039-9140(20)30602-0
URL
Keywords
ion mobility mass spectrometry multivariate analysis lc-ms measured and predicted collision cross sections medicinal plant isomeric and isobaric flavonoids ‘known-unknowns’

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