Dataset

Etoposide

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00543 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 CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
InChI Key VJJPUSNTGOMMGY-UHFFFAOYSA-N
Molecular Formula C29H32O13
Exact Mass 588.184 g/mol

Data and Resources

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-BML00543
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:22:30.428464
MetadataModified 2024-01-11T22:22:30.613114
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD055178 ProbesDrugs
1986791 eMolecules
SCHEMBL765413 SureChEMBL
MCULE-2925340242 Mcule
CHEMBL3184888 ChEMBL
3310 PubChem
93764 ChEBI
The data in this table is sourced from UniChem at EBI.