Dataset

Cohumulone

This MassBank record with Accession MSBNK-BS-BS003091 contains the MS2 mass spectrum of Cohumulone with the InChIkey DRSITEVYZGOOQG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
SMILES C(C(C([H])([H])[H])(C(=O)C1=C(C(=C(C(C1=O)(C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])O[H])O[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])O[H])[H])([H])([H])[H]
InChI Key DRSITEVYZGOOQG-UHFFFAOYSA-N
Molecular Formula C20H28O5
Exact Mass 348.194 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-BS003091
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:27.787563
MetadataModified 2024-01-11T12:34:27.956456
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
196915 PubChem
175443 ChEBI
J638.398J Nikkaji
511-25-1 ACToR
60023818 NMRShiftDB
142628-20-4 ACToR
SCHEMBL317724 SureChEMBL
The data in this table is sourced from UniChem at EBI.