Dataset

Sinapoyl aldehyde

This MassBank record with Accession MSBNK-RIKEN-PR305926 contains the MS2 mass spectrum of Sinapoyl aldehyde with the InChIkey CDICDSOGTRCHMG-UHFFFAOYSA-N.

Chemical Info

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(C=CC=O)=CC(OC)=C1O
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305926
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:15.463695
MetadataModified 2024-01-11T20:44:15.618196
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
119216 PubChem
HMDB0258301 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.