Dataset

Coumarin + 1O + 1MeO, O-Hex-Hex

This MassBank record with Accession MSBNK-RIKEN-PR309352 contains the MS2 mass spectrum of Coumarin + 1O + 1MeO, O-Hex-Hex with the InChIkey QJGJAMWLRCWSIH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H28O14/c1-31-10-4-8-2-3-14(25)32-9(8)5-11(10)33-22-20(18(29)16(27)13(7-24)35-22)36-21-19(30)17(28)15(26)12(6-23)34-21/h2-5,12-13,15-24,26-30H,6-7H2,1H3
SMILES COC1=CC2=C(OC(=O)C=C2)C=C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key QJGJAMWLRCWSIH-UHFFFAOYSA-N
Molecular Formula C22H28O14
Exact Mass 516.452 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-PR309352
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:12:21.171187
MetadataModified 2025-02-09T18:26:07.632643
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73797138 PubChem
The data in this table is sourced from UniChem at EBI.