Dataset

Podophyllotoxin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81992 contains the MS mass spectrum of Podophyllotoxin with the InChIkey YJGVMLPVUAXIQN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3
SMILES COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O
InChI Key YJGVMLPVUAXIQN-UHFFFAOYSA-N
Molecular Formula C22H22O8
Exact Mass 414.131 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-BML81992
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-7709153867 Mcule
    SCHEMBL159599 SureChEMBL
    730698 eMolecules
    26731518 eMolecules
    4354-76-1 ACToR
    PD055368 ProbesDrugs
    4865 PubChem
    60031445 NMRShiftDB
    SIHYAJ CCDC
    HMDB0246672 Human Metabolome Database
    LSM-36850 LINCS
    125371 ChEBI
    J342.333F Nikkaji
    CB3147809 ChemicalBook
    CHEMBL310129 ChEMBL
    The data in this table is sourced from UniChem at EBI.