Dataset

Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS079102 contains the MS2 mass spectrum of Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde with the InChIkey CDICDSOGTRCHMG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3
SMILES COC1=CC(=CC(=C1O)OC)C=CC=O
InChI Key CDICDSOGTRCHMG-UHFFFAOYSA-N
Molecular Formula C11H12O4
Exact Mass 208.213 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS079102
Version
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Maintainer
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MetadataPublished 2009-02-09
Related Molecule
  • 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    197271 surechembl
    119216 pubchem
    HMDB0258301 hmdb
    DTXSID201016569 comptox
    Molport-046-300-404 molport
    The data in this table is sourced from UniChem at EBI.