Dataset

Purpurin; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU076056 contains the MS2 mass spectrum of Purpurin with the InChIkey BBNQQADTFFCFGB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
SMILES OC1=CC(O)=C(O)C2=C1C(=O)C1=C(C=CC=C1)C2=O
InChI Key BBNQQADTFFCFGB-UHFFFAOYSA-N
Molecular Formula C14H8O5
Exact Mass 256.037 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU076056
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MetadataPublished 2020-08-19
Related Molecule
  • 1,2,4-trihydroxyanthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.