Dataset

Formosanine

This MassBank record with Accession MSBNK-RIKEN-PR300354 contains the MS2 mass spectrum of Formosanine with the InChIkey JMIAZDVHNCCPDM-XJKYNJMSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14-,18+,21-/m1/s1
SMILES COC(=O)C1=CO[C@H](C)[C@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(O)=NC1=CC=CC=C41
InChI Key JMIAZDVHNCCPDM-XJKYNJMSSA-N
Molecular Formula C21H24N2O4
Exact Mass 368.433 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-PR300354
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:09.886315
MetadataModified 2024-01-11T20:38:10.062171
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C17594 KEGG Ligand
ZINC000013660061 ZINC
81202 ChEBI
12304286 PubChem
6883-35-8 ACToR
60071010 NMRShiftDB
J15.587J Nikkaji
The data in this table is sourced from UniChem at EBI.