Dataset

Rubrofusarin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000705 contains the MS2 mass spectrum of Rubrofusarin with the InChIkey FPNKCZKRICBAKG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3
SMILES CC1=CC(=O)C2=C(O1)C=C3C=C(C=C(C3=C2O)O)OC
InChI Key FPNKCZKRICBAKG-UHFFFAOYSA-N
Molecular Formula C15H12O5
Exact Mass 272.068 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-AAFC-AC000705
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • 5,6-dihydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    72537 PubChem
    15442100 PubChem: Thomson Pharma
    SCHEMBL486101 SureChEMBL
    3567-00-8 ACToR
    533T23P5CF FDA SRS
    MTBLC8908 Metabolights
    8908 ChEBI
    20025166 NMRShiftDB
    RUBFUS CCDC
    J13.000A Nikkaji
    HY-130307 MedChemExpress
    DTXSID90189171 EPA CompTox Dashboard
    31704580 eMolecules
    C09047 KEGG Ligand
    CHEMBL475086 ChEMBL
    The data in this table is sourced from UniChem at EBI.