Dataset

Farrerol; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003521 contains the MS2 mass spectrum of Farrerol with the InChIkey DYHOLQACRGJEHX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3
SMILES C(C1=C(C2=C(C(=C1O[H])C([H])([H])[H])OC(C(C2=O)([H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key DYHOLQACRGJEHX-UHFFFAOYSA-N
Molecular Formula C17H16O5
Exact Mass 300.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003521
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91144 PubChem
    60028712 NMRShiftDB
    85850933 PubChem: Thomson Pharma
    SCHEMBL928045 SureChEMBL
    PD086902 ProbesDrugs
    29543021 eMolecules
    CB4417440 ChemicalBook
    CHEMBL1224582 ChEMBL
    The data in this table is sourced from UniChem at EBI.