Dataset

Justicidin B

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01604 contains the MS2 mass spectrum of Justicidin B with the InChIkey RTDRYYULUYRTAN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H16O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-8H,9-10H2,1-2H3
SMILES COC1=CC2=CC3=C(C(=C2C=C1OC)C4=CC5=C(C=C4)OCO5)C(=O)OC3
InChI Key RTDRYYULUYRTAN-UHFFFAOYSA-N
Molecular Formula C21H16O6
Exact Mass 364.095 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-BML01604
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:11.312677
MetadataModified 2024-01-11T22:27:11.474762
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10636 KEGG Ligand
5757488 eMolecules
MCULE-8165958743 Mcule
6094 ChEBI
CHEMBL466361 ChEMBL
14953772 PubChem: Thomson Pharma
RQQ8T34V5F FDA SRS
17951-19-8 ACToR
60019985 NMRShiftDB
J13.813D Nikkaji
442882 PubChem
SCHEMBL4733970 SureChEMBL
The data in this table is sourced from UniChem at EBI.