Dataset

(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, Asterin, Glucocyanidin, cyanidin-3-glucoside chloride, Cyanidin 3-beta-glucopyranoside, 3,3',4',5,7-Pentahydroxyflavylium chloride, 3-glucoside, Chrysontemin, Kuromanin, Cynd-3-Glc, Chrysanthemin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT208360 contains the MS2 mass spectrum of (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, Asterin, Glucocyanidin, cyanidin-3-glucoside chloride, Cyanidin 3-beta-glucopyranoside, 3,3',4',5,7-Pentahydroxyflavylium chloride, 3-glucoside, Chrysontemin, Kuromanin, Cynd-3-Glc, Chrysanthemin with the InChIkey RKWHWFONKJEUEF-UHFFFAOYSA-O.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
SMILES C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
InChI Key RKWHWFONKJEUEF-UHFFFAOYSA-O
Molecular Formula [C21H21O11]+
Exact Mass 449.388 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT208360
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MetadataPublished 2008-07-28
Related Molecule
  • 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.