Dataset

4-Hydroxy-3,5-dimethoxy-cinnamic acid, (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT101560 contains the MS2 mass spectrum of 4-Hydroxy-3,5-dimethoxy-cinnamic acid, (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid with the InChIkey PCMORTLOPMLEFB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)
SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)O
InChI Key PCMORTLOPMLEFB-UHFFFAOYSA-N
Molecular Formula C11H12O5
Exact Mass 224.212 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-PT101560
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:59.256881
MetadataModified 2024-01-11T21:07:59.414752
MetadataPublished 2008-07-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10743 PubChem
6865434 eMolecules
MCULE-6112659813 Mcule
10009239 NMRShiftDB
77131 ChEBI
PD065274 ProbesDrugs
The data in this table is sourced from UniChem at EBI.