Dataset

(-)-Bilobalide; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80011 contains the MS mass spectrum of (-)-Bilobalide with the InChIkey MOLPUWBMSBJXER-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3
SMILES CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O
InChI Key MOLPUWBMSBJXER-UHFFFAOYSA-N
Molecular Formula C15H18O8
Exact Mass 326.100 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-BML80011
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0242203 Human Metabolome Database
    MCULE-9442832778 Mcule
    PD056230 ProbesDrugs
    70124852 NMRShiftDB
    SCHEMBL14029382 SureChEMBL
    545839 PubChem
    29549648 eMolecules
    The data in this table is sourced from UniChem at EBI.