Dataset

Etoposide; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81232 contains the MS mass spectrum of Etoposide with the InChIkey VJJPUSNTGOMMGY-UHFFFAOYSA-N.

Chemical Information

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-BML81232
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:93764 chebi
    CHEMBL3184888 chembl
    765413 surechembl
    3310 pubchem
    6815 gtopdb
    PD055178 probes_and_drugs
    Molport-004-905-001 molport
    The data in this table is sourced from UniChem at EBI.