Dataset

Kopsinoline

This MassBank record with Accession MSBNK-RIKEN-PR300117 contains the MS2 mass spectrum of Kopsinoline with the InChIkey KWXHCCIXBUPHTG-ICLMVOIRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H26N2O3/c1-26-17(24)15-13-19-7-4-11-23(25)12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18+,19-,20-,21-,23+/m0/s1
SMILES COC(=O)[C@@H]1C[C@@]23CCC[N@@]4(=O)CC[C@@]5([C@@H]24)C2=CC=CC=C2N[C@@]15CC3
InChI Key KWXHCCIXBUPHTG-ICLMVOIRSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.450 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-RIKEN-PR300117
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:18:15.585656
MetadataModified 2025-02-09T18:28:47.866406
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137832351 PubChem
The data in this table is sourced from UniChem at EBI.