Dataset

Andrographolide; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80745 contains the MS mass spectrum of Andrographolide with the InChIkey BOJKULTULYSRAS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3
SMILES CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O
InChI Key BOJKULTULYSRAS-UHFFFAOYSA-N
Molecular Formula C20H30O5
Exact Mass 350.209 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-BML80745
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    62263 surechembl
    343585 pubchem
    9675 gtopdb
    PD056313 probes_and_drugs
    PD222450 probes_and_drugs
    ZZZLUK CCDC
    HMDB0248395 hmdb
    The data in this table is sourced from UniChem at EBI.