Dataset

L-Oxonoreleagnine

This MassBank record with Accession MSBNK-RIKEN-PR301116 contains the MS2 mass spectrum of L-Oxonoreleagnine with the InChIkey FZHZQHNKCPJTNQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)
SMILES OC1=NCCC2=C1NC1=CC=CC=C21
InChI Key FZHZQHNKCPJTNQ-UHFFFAOYSA-N
Molecular Formula C11H10N2O
Exact Mass 186.214 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-PR301116
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:50:38.196903
MetadataModified 2025-02-09T18:23:26.415628
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID50170823 EPA CompTox Dashboard
ZINC000000054469 ZINC
TUMROJ CCDC
J99.523A Nikkaji
CHEMBL444810 ChEMBL
87371 PubChem
MCULE-9673359265 Mcule
20123216 NMRShiftDB
17952-82-8 ACToR
16852310 PubChem: Thomson Pharma
SCHEMBL797563 SureChEMBL
1399016 eMolecules
The data in this table is sourced from UniChem at EBI.