Dataset

Oxoglaucine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00788 contains the MS2 mass spectrum of Oxoglaucine with the InChIkey ZYKCETVKVRJFGD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3
SMILES COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC
InChI Key ZYKCETVKVRJFGD-UHFFFAOYSA-N
Molecular Formula C20H17NO5
Exact Mass 351.111 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-BML00788
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:22:19.579199
MetadataModified 2024-01-11T22:22:19.742548
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL470881 ChEMBL
6863103 eMolecules
188970 ChEBI
ZINC000001726300 ZINC
DTXSID20204285 EPA CompTox Dashboard
CB91386915 ChemicalBook
52491 BindingDB
HMDB0029337 Human Metabolome Database
97662 PubChem
60026370 NMRShiftDB
14952925 PubChem: Thomson Pharma
5574-24-3 ACToR
J13.395G Nikkaji
SCHEMBL11452708 SureChEMBL
CAWWAA CCDC
The data in this table is sourced from UniChem at EBI.