Dataset

trans-piceid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304249 contains the MS2 mass spectrum of trans-piceid with the InChIkey HSTZMXCBWJGKHG-GHHIHIOFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16?,17-,18+,19?,20-/m1/s1
SMILES OCC1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)C(O)[C@@H](O)[C@@H]1O
InChI Key HSTZMXCBWJGKHG-GHHIHIOFSA-N
Molecular Formula C20H22O8
Exact Mass 390.388 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304249
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (2S,4S,5S)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    71752015 PubChem
    SCHEMBL18199162 SureChEMBL
    The data in this table is sourced from UniChem at EBI.