Dataset

Rubone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01728 contains the MS2 mass spectrum of Rubone with the InChIkey VHCQVGQULWFQTM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H22O7/c1-23-13-9-15(22)20(19(10-13)27-5)14(21)7-6-12-8-17(25-3)18(26-4)11-16(12)24-2/h6-11,22H,1-5H3
SMILES COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=C(C=C2OC)OC)OC)O
InChI Key VHCQVGQULWFQTM-UHFFFAOYSA-N
Molecular Formula C20H22O7
Exact Mass 374.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01728
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:34.341731
MetadataModified 2024-01-11T22:28:34.536416
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3899901 PubChem
The data in this table is sourced from UniChem at EBI.