Dataset

E-Resveratrol trimethyl ether

This MassBank record with Accession MSBNK-RIKEN-PR304281 contains the MS2 mass spectrum of E-Resveratrol trimethyl ether with the InChIkey GDHNBPHYVRHYCC-SNAWJCMRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
SMILES COC1=CC=C(\C=C\C2=CC(OC)=CC(OC)=C2)C=C1
InChI Key GDHNBPHYVRHYCC-SNAWJCMRSA-N
Molecular Formula C17H18O3
Exact Mass 270.328 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-PR304281
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:33:51.636248
MetadataModified 2025-02-09T18:23:12.279578
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000013456778 ZINC
CB0446671 ChemicalBook
206183 Brenda
15391 Brenda
174405 Brenda
5388063 PubChem
15221887 PubChem: Thomson Pharma
SCHEMBL918739 SureChEMBL
PD021396 ProbesDrugs
22255-22-7 ACToR
60067516 NMRShiftDB
1935672 eMolecules
HUHZIT CCDC
J464.988E Nikkaji
J456.338G Nikkaji
HY-N1408 MedChemExpress
23928 BindingDB
CHEMBL296411 ChEMBL
The data in this table is sourced from UniChem at EBI.