Dataset

Caffeyl alcohol

This MassBank record with Accession MSBNK-RIKEN-PR308131 contains the MS2 mass spectrum of Caffeyl alcohol with the InChIkey ZCKDCRKBURQZPT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2
SMILES OCC=CC1=CC(O)=C(O)C=C1
InChI Key ZCKDCRKBURQZPT-UHFFFAOYSA-N
Molecular Formula C9H10O3
Exact Mass 166.176 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-PR308131
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:15:32.138308
MetadataModified 2025-02-09T18:24:13.100004
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
361171 PubChem
MTBLC86071 Metabolights
DTXSID20326956 EPA CompTox Dashboard
86071 ChEBI
CB62648640 ChemicalBook
The data in this table is sourced from UniChem at EBI.