Dataset

Rhein; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL23111013539 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111013539
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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
    DB13174 drugbank
    CHEBI:8825 chebi
    LMPK13040015 lipidmaps
    RHN rcsb_pdb
    CHEMBL418068 chembl
    25253 surechembl
    29404324 surechembl
    10168 pubchem
    RHN pdbe
    PD012049 probes_and_drugs
    BUFWAD CCDC
    10768 brenda
    108348 brenda
    139212 brenda
    27108 brenda
    YM64C2P6UX fdasrs
    HMDB0032876 hmdb
    Molport-001-742-586 molport
    32021 bindingdb
    The data in this table is sourced from UniChem at EBI.