Dataset

Coumestrol

This MassBank record with Accession MSBNK-BS-BS003253 contains the MS2 mass spectrum of Coumestrol with the InChIkey ZZIALNLLNHEQPJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
SMILES C1(=C(C2=C(C(=C1O[H])[H])OC3=C2C(=O)OC4=C3C(=C(C(=C4[H])O[H])[H])[H])[H])[H]
InChI Key ZZIALNLLNHEQPJ-UHFFFAOYSA-N
Molecular Formula C15H8O5
Exact Mass 268.037 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-BS-BS003253
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:12.236103
MetadataModified 2024-01-11T12:34:12.405014
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables