Dataset

(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3-carbaldehyde

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00794 contains the MS2 mass spectrum of (6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3-carbaldehyde with the InChIkey CLSKRRFGIZCINS-INIZCTEOSA-N.

Chemical Info

InChI	InChI=1S/C22H25NO5/c1-23-7-6-13-15(11-24)21(27-4)22(28-5)20-14-10-18(26-3)17(25-2)9-12(14)8-16(23)19(13)20/h9-11,16H,6-8H2,1-5H3/t16-/m0/s1
SMILES	CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC)C=O
InChI Key	CLSKRRFGIZCINS-INIZCTEOSA-N
Molecular Formula	C22H25NO5
Exact Mass	383.173 g/mol

Data and Resources

(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-t...HTML
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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-BML00794
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:42.944140
MetadataModified	2024-01-11T22:26:43.099909
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000020518284	ZINC
11908466	PubChem
SCHEMBL14029493	SureChEMBL
182182	ChEBI
26800600	eMolecules
CHEMBL1560685	ChEMBL
The data in this table is sourced from UniChem at EBI.