Dataset

Corynanthine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00570 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-BML00570
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:22.079993
MetadataModified 2024-01-11T22:28:22.242631
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60026221 NMRShiftDB
16831155 PubChem: Thomson Pharma
PD051114 ProbesDrugs
F5Z7C9RK8U FDA SRS
92766 PubChem
LSM-2124 LINCS
5345 Guide to Pharmacology
SCHEMBL178061 SureChEMBL
J5.984F Nikkaji
92122 ChEBI
ZINC000003861548 ZINC
50027058 BindingDB
CB0387136 ChemicalBook
MTBLC92122 Metabolights
CHEMBL31410 ChEMBL
536008 eMolecules
The data in this table is sourced from UniChem at EBI.