Dataset

Isoformosanine

This MassBank record with Accession MSBNK-RIKEN-PR304471 contains the MS2 mass spectrum of Isoformosanine with the InChIkey JMIAZDVHNCCPDM-UHFFFAOYSA-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)
SMILES COC(=O)C1=COC(C)C2CN3CCC4(C3CC12)C(O)=NC1=CC=CC=C41
InChI Key JMIAZDVHNCCPDM-UHFFFAOYSA-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-PR304471
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:18.725838
MetadataModified 2024-01-11T20:42:18.873173
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5629-60-7 ACToR
181753 ChEBI
PD029154 ProbesDrugs
60070568 NMRShiftDB
4697-68-1 ACToR
98363 PubChem
747800 eMolecules
CHEMBL1886339 ChEMBL
MCULE-5147022598 Mcule
The data in this table is sourced from UniChem at EBI.