Dataset

Norcantharidin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81815 contains the MS mass spectrum of Norcantharidin with the InChIkey JAABVEXCGCXWRR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2
SMILES C1CC2C3C(C1O2)C(=O)OC3=O
InChI Key JAABVEXCGCXWRR-UHFFFAOYSA-N
Molecular Formula C8H8O4
Exact Mass 168.042 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-BML81815
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J42.543E Nikkaji
    HMDB0245751 Human Metabolome Database
    CHEMBL8327 ChEMBL
    889018 eMolecules
    5442-12-6 ACToR
    PD001254 ProbesDrugs
    29745-04-8 ACToR
    197221 ChEBI
    SCHEMBL177729 SureChEMBL
    51154-98-4 ACToR
    DTXSID30884158 EPA CompTox Dashboard
    CB9727430 ChemicalBook
    MCULE-7561066553 Mcule
    93004 PubChem
    The data in this table is sourced from UniChem at EBI.