Dataset

L-Oxonoreleagnine

This MassBank record with Accession MSBNK-RIKEN-PR310510 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 O=C1NCCC2=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-PR310510
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:31.408340
MetadataModified 2024-01-11T20:41:31.559612
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J99.523A Nikkaji
TUMROJ CCDC
DTXSID50170823 EPA CompTox Dashboard
ZINC000000054469 ZINC
CHEMBL444810 ChEMBL
1399016 eMolecules
87371 PubChem
20123216 NMRShiftDB
MCULE-9673359265 Mcule
17952-82-8 ACToR
16852310 PubChem: Thomson Pharma
SCHEMBL797563 SureChEMBL
The data in this table is sourced from UniChem at EBI.