Dataset

7alpha-Voacangine hydroxyindolenine

This MassBank record with Accession MSBNK-RIKEN-PR300357 contains the MS2 mass spectrum of 7alpha-Voacangine hydroxyindolenine with the InChIkey AVRFPRAAVSCSSZ-GSEWTJHMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H28N2O4/c1-4-14-9-13-11-21(20(25)28-3)18(14)24(12-13)8-7-22(26)16-10-15(27-2)5-6-17(16)23-19(21)22/h5-6,10,13-14,18,26H,4,7-9,11-12H2,1-3H3/t13-,14+,18?,21?,22?/m0/s1
SMILES CC[C@@H]1C[C@@H]2CN3CCC4(O)C5=C(C=CC(OC)=C5)N=C4C(C2)(C13)C(=O)OC
InChI Key AVRFPRAAVSCSSZ-GSEWTJHMSA-N
Molecular Formula C22H28N2O4
Exact Mass 384.476 g/mol

Data and Resources

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-PR300357
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:56.168174
MetadataModified 2024-01-11T20:43:56.336940
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID20316736 EPA CompTox Dashboard
3464-63-9 ACToR
328232 PubChem
The data in this table is sourced from UniChem at EBI.