Dataset

Capensine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80885 contains the MS mass spectrum of Capensine with the InChIkey QJZRVRVZRIXGMR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16O5/c1-9(2)6-7-19-15-11(18-3)8-10-4-5-12(16)20-14(10)13(15)17/h4-6,8,17H,7H2,1-3H3
SMILES CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1O)OC)C
InChI Key QJZRVRVZRIXGMR-UHFFFAOYSA-N
Molecular Formula C15H16O5
Exact Mass 276.100 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-BML80885
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:37.408875
MetadataModified 2024-01-11T22:25:37.582585
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1327256 ChEMBL
1410950 eMolecules
16601996 PubChem: Thomson Pharma
70001315 NMRShiftDB
SCHEMBL14029297 SureChEMBL
J132.170F Nikkaji
MCULE-4326248964 Mcule
644959 PubChem
ORUWAC CCDC
ZINC000000113310 ZINC
The data in this table is sourced from UniChem at EBI.