Dataset

3-Hydroxy-beta-lapachone; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00300 contains the MS2 mass spectrum of 3-Hydroxy-beta-lapachone with the InChIkey MFHPSBRWDZUZHF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O4/c1-15(2)11(16)7-10-13(18)12(17)8-5-3-4-6-9(8)14(10)19-15/h3-6,11,16H,7H2,1-2H3
SMILES OC(C1)C(C)(C)Oc(c32)c1c(=O)c(=O)c(cccc3)2
InChI Key MFHPSBRWDZUZHF-UHFFFAOYSA-N
Molecular Formula C15H14O4
Exact Mass 258.089 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-FIO00300
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15297-98-0 ACToR
    146252 PubChem
    SCHEMBL10141791 SureChEMBL
    14872272 PubChem: Thomson Pharma
    CHEMBL264927 ChEMBL
    J836.351J Nikkaji
    177042 ChEBI
    The data in this table is sourced from UniChem at EBI.