Dataset

Voacristine

This MassBank record with Accession MSBNK-RIKEN-PR300029 contains the MS2 mass spectrum of Voacristine with the InChIkey OYMQKBZMKFJPMH-VJMPXSKLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3/t12-,13+,16+,20-,22+/m0/s1
SMILES COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(C3)CCC1=C2NC2=C1C=C(OC)C=C2
InChI Key OYMQKBZMKFJPMH-VJMPXSKLSA-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-PR300029
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:39.256765
MetadataModified 2024-01-11T20:40:39.439030
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J16.155A Nikkaji
196982 PubChem
ZINC000005763288 ZINC
PD080432 ProbesDrugs
The data in this table is sourced from UniChem at EBI.