Dataset

Rhein; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01013 contains the MS2 mass spectrum of Rhein with the InChIkey FCDLCPWAQCPTKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)O
InChI Key FCDLCPWAQCPTKC-UHFFFAOYSA-N
Molecular Formula C15H8O6
Exact Mass 284.032 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-BML01013
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.