@prefix rdf: . @prefix rdfs: . @prefix bibo: . @prefix cito: . @prefix dc: . @prefix dwc: . @prefix dwcFP: . @prefix fabio: . @prefix trt: . @prefix xlink: . cito:cites , , , ; dc:creator "Kang, Kyo Bin; Woo, Sunmin; Ernst, Madeleine; van der Hooft, Justin J. J.; Nothias, Louis-Félix; da Silva, Ricardo R.; Dorrestein, Pieter C.; Sung, Sang Hyun; Lee, Mina" ; dc:title "Alnus specialized subsp. metabolites" ; trt:augmentsTaxonConcept ; trt:publishedIn ; a trt:Treatment . bibo:endPage "10" ; bibo:journal "Phytochemistry" ; bibo:pubDate "2020-05-31" ; bibo:series "112292" ; bibo:startPage "1" ; bibo:volume "173" ; dc:creator "Kang, Kyo Bin; Woo, Sunmin; Ernst, Madeleine; van der Hooft, Justin J. J.; Nothias, Louis-Félix; da Silva, Ricardo R.; Dorrestein, Pieter C.; Sung, Sang Hyun; Lee, Mina" ; dc:date "2020" ; dc:title "Assessing specialized metabolite diversity of Alnus species by a digitized LC-MS / MS data analysis workflow" ; fabio:hasPart , , , ; a fabio:JournalArticle . # Info: authority attributes generated from docAuthor ; dwc:authority "Kang, Woo, Ernst, van der Hooft, Nothias, da Silva, Dorrestein, Sung & Lee, 2020" ; dwc:authorityName "Kang, Woo, Ernst, van der Hooft, Nothias, da Silva, Dorrestein, Sung & Lee" ; dwc:authorityYear "2020" ; dwc:class "Magnoliopsida" ; dwc:family "Betulaceae" ; dwc:genus "Alnus" ; dwc:kingdom "Plantae" ; dwc:order "Fagales" ; dwc:phylum "Tracheophyta" ; dwc:rank "subSpecies" ; dwc:scientificNameAuthorship "Kang, Woo, Ernst, van der Hooft, Nothias, da Silva, Dorrestein, Sung & Lee, 2020" ; dwc:species "specialized" ; dwc:subSpecies "metabolites" ; trt:hasTaxonName ; a dwcFP:TaxonConcept . dwc:class "Magnoliopsida" ; dwc:family "Betulaceae" ; dwc:genus "Alnus" ; dwc:kingdom "Plantae" ; dwc:order "Fagales" ; dwc:phylum "Tracheophyta" ; dwc:rank "subSpecies" ; dwc:species "specialized" ; dwc:subSpecies "metabolites" ; trt:hasParentName ; a dwcFP:TaxonName . dwc:class "Magnoliopsida" ; dwc:family "Betulaceae" ; dwc:genus "Alnus" ; dwc:kingdom "Plantae" ; dwc:order "Fagales" ; dwc:phylum "Tracheophyta" ; dwc:rank "species" ; dwc:species "specialized" ; trt:hasParentName ; a dwcFP:TaxonName . dwc:class "Magnoliopsida" ; dwc:family "Betulaceae" ; dwc:genus "Alnus" ; dwc:kingdom "Plantae" ; dwc:order "Fagales" ; dwc:phylum "Tracheophyta" ; dwc:rank "genus" ; trt:hasParentName ; a dwcFP:TaxonName . dwc:class "Magnoliopsida" ; dwc:family "Betulaceae" ; dwc:kingdom "Plantae" ; dwc:order "Fagales" ; dwc:phylum "Tracheophyta" ; dwc:rank "family" ; trt:hasParentName ; a dwcFP:TaxonName . dwc:class "Magnoliopsida" ; dwc:kingdom "Plantae" ; dwc:order "Fagales" ; dwc:phylum "Tracheophyta" ; dwc:rank "order" ; trt:hasParentName ; a dwcFP:TaxonName . dwc:class "Magnoliopsida" ; dwc:kingdom "Plantae" ; dwc:phylum "Tracheophyta" ; dwc:rank "class" ; trt:hasParentName ; a dwcFP:TaxonName . dwc:kingdom "Plantae" ; dwc:phylum "Tracheophyta" ; dwc:rank "phylum" ; trt:hasParentName ; a dwcFP:TaxonName . dwc:kingdom "Plantae" ; dwc:rank "kingdom" ; a dwcFP:TaxonName . dc:description "Fig. 1. LC–MS base peak ion (BPI) chromatograms of 15 Alnus extracts. Gaps between chromatogram were added to visualize their difference, so y-axis values do not equal to the absolute intensities." ; fabio:hasRepresentation ; a fabio:Figure . dc:description "Fig. 2. The MS/MS spectral network of specialized metabolites contained in the bark, twigs, leaves, and fruits of A. japonica, A. firma, A. hirsuta, and A. hirsuta var. sibirica. Spectral nodes are colored according to the mean precursor ion intensity per different plant parts: bark, twigs, leaves, and fruits. Molecular families A–I are highlighted." ; fabio:hasRepresentation ; a fabio:Figure . dc:description "Fig. 3. MS2LDA-driven substructural annotation of diarylheptanoids of Alnus species. Integrated with GNPS library matching and NAP in silico annotation, diarylheptanoid-related Mass2Motifs 41, 49, 72, and 81 could be characterized and correlated with specific substructures of diarylheptanoid aglycones. Scaffold diversity within diarylheptanoid molecular families A, D, and I were revealed by mapping these Mass2Motifs on the molecular network with different colors. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)" ; fabio:hasRepresentation ; a fabio:Figure . dc:description "Fig. 4. Discrimination of the analyzed Alnus extracts into chemogroups. The analyzed extracts can be discriminated into three chemogroups by visualizing the CSCS distance metric between samples as PCoA plot (A) and chemical dendrogram (B). On the other hand, conventional methods such as PCA score plot (C) or hierarchical clustering analysis (HCA) using the Euclidean distance (D; chemogroups 1–3 are visualized with same colors used in B to make it easy to be compared) could not discriminate the samples into the same chemotypes. By mapping the chemogrouping of samples on the molecular network, it could be visualized that the three chemogroups were rich in diarylheptanoid, flavonoid, and tannins, respectively (E). (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)" ; fabio:hasRepresentation ; a fabio:Figure .