Dataset

(+)-Corydaline

This MassBank record with Accession MSBNK-RIKEN-PR301119 contains the MS2 mass spectrum of (+)-Corydaline with the InChIkey VRSRXLJTYQVOHC-YEJXKQKISA-N.

Chemical Info

InChI	InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
SMILES	COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
InChI Key	VRSRXLJTYQVOHC-YEJXKQKISA-N
Molecular Formula	C22H27NO4
Exact Mass	369.461 g/mol

Data and Resources

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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-PR301119
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:27:34.818889
MetadataModified	2025-02-09T18:07:40.844922
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14027	ChEBI
C15530	KEGG Ligand
J34.125H	Nikkaji
J86.101D	Nikkaji
6MUC9717YK	FDA SRS
HY-N0923	MedChemExpress
MCULE-6042650831	Mcule
DTXSID90199735	EPA CompTox Dashboard
ZINC000025692299	ZINC
14027	Rhea
CB6496719	ChemicalBook
MTBLC14027	Metabolights
32869	Brenda
SCHEMBL230676	SureChEMBL
08N392L8VX	FDA SRS
101301	PubChem
CHEMBL2165401	ChEMBL
135676687	PubChem: Thomson Pharma
60059267	NMRShiftDB
PD063730	ProbesDrugs
1937950	eMolecules
The data in this table is sourced from UniChem at EBI.