Dataset

Voacamine

This MassBank record with Accession MSBNK-RIKEN-PR304653 contains the MS2 mass spectrum of Voacamine with the InChIkey VCMIRXRRQJNZJT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3
SMILES CCC1CC2CN3CCC4=C(NC5=CC(C6CC7C(C(CC8=C6NC6=CC=CC=C86)N(C)CC7=CC)C(=O)OC)=C(OC)C=C45)C(C2)(C13)C(=O)OC
InChI Key VCMIRXRRQJNZJT-UHFFFAOYSA-N
Molecular Formula C43H52N4O5
Exact Mass 704.912 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-PR304653
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:49.602170
MetadataModified 2024-01-11T20:42:49.753998
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD030620 ProbesDrugs
579054 PubChem
YURFAV CCDC
The data in this table is sourced from UniChem at EBI.