Dataset

Brevianamide A

This MassBank record with Accession MSBNK-AAFC-AC000080 contains the MS2 mass spectrum of Brevianamide A with the InChIkey MWOFPQAPILIIPR-DJJZHVJBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21-/m0/s1
SMILES CC1([C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@]15C(=O)C6=CC=CC=C6N5)NC4=O)C
InChI Key MWOFPQAPILIIPR-DJJZHVJBSA-N
Molecular Formula C21H23N3O3
Exact Mass 365.174 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-AAFC-AC000080
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:10.707438
MetadataModified 2024-01-11T09:23:10.862254
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
25163935 PubChem
70073275 NMRShiftDB
ZINC000085547449 ZINC
L2S5E3NBIH FDA SRS
DTXSID90891803 EPA CompTox Dashboard
J835.767F Nikkaji
YUJSUU CCDC
The data in this table is sourced from UniChem at EBI.