Dataset

Corynanthine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00582 contains the MS2 mass spectrum of Corynanthine with the InChIkey BLGXFZZNTVWLAY-DKJBZYCGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1
SMILES COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
InChI Key BLGXFZZNTVWLAY-DKJBZYCGSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00582
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:22:22.337395
MetadataModified 2024-01-11T22:22:22.495788
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL178061 SureChEMBL
LSM-2124 LINCS
92766 PubChem
16831155 PubChem: Thomson Pharma
F5Z7C9RK8U FDA SRS
PD051114 ProbesDrugs
60026221 NMRShiftDB
MTBLC92122 Metabolights
CB0387136 ChemicalBook
536008 eMolecules
CHEMBL31410 ChEMBL
50027058 BindingDB
5345 Guide to Pharmacology
J5.984F Nikkaji
92122 ChEBI
ZINC000003861548 ZINC
The data in this table is sourced from UniChem at EBI.