Dataset

Etoposide

This MassBank record with Accession MSBNK-RIKEN-PR307882 contains the MS2 mass spectrum of Etoposide with the InChIkey VJJPUSNTGOMMGY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3
SMILES COC1=CC(=CC(OC)=C1O)C1C2C(COC2=O)C(OC2OC3COC(C)OC3C(O)C2O)C2=CC3=C(OCO3)C=C12
InChI Key VJJPUSNTGOMMGY-UHFFFAOYSA-N
Molecular Formula C29H32O13
Exact Mass 588.562 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-PR307882
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:53.009430
MetadataModified 2025-02-09T17:44:28.161409
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1986791 eMolecules
PD055178 ProbesDrugs
SCHEMBL765413 SureChEMBL
3310 PubChem
CHEMBL3184888 ChEMBL
MCULE-2925340242 Mcule
93764 ChEBI
The data in this table is sourced from UniChem at EBI.