Dataset

N-methylcorydaldine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81805 contains the MS mass spectrum of N-methylcorydaldine with the InChIkey BDIZBBGNYDRCCA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h6-7H,4-5H2,1-3H3
SMILES CN1CCC2=CC(=C(C=C2C1=O)OC)OC
InChI Key BDIZBBGNYDRCCA-UHFFFAOYSA-N
Molecular Formula C12H15NO3
Exact Mass 221.105 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-BML81805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:51.970608
MetadataModified 2024-01-11T22:26:52.141867
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL504722 ChEMBL
67411 ChEBI
J146.915K Nikkaji
NAMQUO CCDC
50349827 BindingDB
DTXSID80307685 EPA CompTox Dashboard
ZINC000000487565 ZINC
6514-05-2 ACToR
60027979 NMRShiftDB
303906 PubChem
MCULE-7322868782 Mcule
SCHEMBL11923834 SureChEMBL
16107409 PubChem: Thomson Pharma
MTBLC67411 Metabolights
4797483 eMolecules
The data in this table is sourced from UniChem at EBI.