Dataset

Triacetyl resveratrol

This MassBank record with Accession MSBNK-RIKEN-PR308229 contains the MS2 mass spectrum of Triacetyl resveratrol with the InChIkey PDAYUJSOJIMKIS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3
SMILES CC(=O)OC1=CC=C(C=CC2=CC(OC(C)=O)=CC(OC(C)=O)=C2)C=C1
InChI Key PDAYUJSOJIMKIS-UHFFFAOYSA-N
Molecular Formula C20H18O6
Exact Mass 354.358 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-PR308229
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:40:09.550097
MetadataModified 2025-02-09T18:28:45.393361
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL717980 SureChEMBL
25768863 eMolecules
PD029083 ProbesDrugs
31593281 eMolecules
113531 ChEBI
HMDB0259139 Human Metabolome Database
DTXSID30873906 EPA CompTox Dashboard
3935161 PubChem
The data in this table is sourced from UniChem at EBI.