Dataset

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

This MassBank record with Accession MSBNK-Fiocruz-FIO00285 contains the MS2 mass spectrum of Claussequinone with the InChIkey PDAKXMIQFUHWQC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3
SMILES COc(c3)c(=O)cc(c(=O)3)C(C1)Cc(c2)c(cc(O)c2)O1
InChI Key PDAKXMIQFUHWQC-UHFFFAOYSA-N
Molecular Formula C16H14O5
Exact Mass 286.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00285
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20182157 NMRShiftDB
    177044 ChEBI
    LMPK12080051 LipidMaps
    100072 PubChem
    3708-39-2 ACToR
    SCHEMBL571133 SureChEMBL
    15071963 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.