Dataset

Lateropyrone; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-HBM4EU-HB003840 contains the MS2 mass spectrum of Lateropyrone with the InChIkey JSQAILNRMPHAGO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O8/c1-5-3-7(16)10-8(22-5)4-6-9(12(10)18)14(19)23-13(11(6)17)15(20)21-2/h3-4,17-18H,1-2H3
SMILES CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)OC(=C3O)C(=O)OC
InChI Key JSQAILNRMPHAGO-UHFFFAOYSA-N
Molecular Formula C15H10O8
Exact Mass 318.038 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-HBM4EU-HB003840
Version
Author
Maintainer
Language
MetadataPublished 2021-10-11
Related Molecule
  • methyl 5,9-dihydroxy-2-methyl-4,6-dioxopyrano[3,4-g]chromene-8-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:201439 chebi
    CHEMBL3086843 chembl
    54692970 pubchem
    PD094359 probes_and_drugs
    SUDLUB CCDC
    DTXSID30239563 comptox
    Molport-046-683-786 molport
    The data in this table is sourced from UniChem at EBI.