Dataset

Coniferyl aldehyde

This MassBank record with Accession MSBNK-RIKEN-PR307090 contains the MS2 mass spectrum of Coniferyl aldehyde with the InChIkey DKZBBWMURDFHNE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3
SMILES COC1=C(O)C=CC(C=CC=O)=C1
InChI Key DKZBBWMURDFHNE-UHFFFAOYSA-N
Molecular Formula C10H10O3
Exact Mass 178.187 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-PR307090
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:29.889748
MetadataModified 2024-01-11T20:42:30.093316
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD087187 ProbesDrugs
9984 PubChem
DTXSID8075047 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.