Dataset

trans-piceid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308288 contains the MS2 mass spectrum of trans-piceid with the InChIkey HSTZMXCBWJGKHG-UHFFFAOYSA-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
SMILES OCC1OC(OC2=CC(C=CC3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O
InChI Key HSTZMXCBWJGKHG-UHFFFAOYSA-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-PR308288
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 2-[3-hydroxy-5-[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
    4775677 eMolecules
    HMDB0242527 Human Metabolome Database
    MCULE-6371207645 Mcule
    19045013 eMolecules
    393787 PubChem
    PD056344 ProbesDrugs
    182492 ChEBI
    The data in this table is sourced from UniChem at EBI.