Dataset

Trypacidin; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-HBM4EU-HB003813 contains the MS2 mass spectrum of Trypacidin with the InChIkey KMZYINVXZDQCKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O7/c1-9-5-12(22-2)15-13(6-9)25-18(16(15)20)11(17(21)24-4)7-10(19)8-14(18)23-3/h5-8H,1-4H3
SMILES CC1=CC2=C(C(=C1)OC)C(=O)C3(O2)C(=CC(=O)C=C3OC)C(=O)OC
InChI Key KMZYINVXZDQCKC-UHFFFAOYSA-N
Molecular Formula C18H16O7
Exact Mass 344.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-HBM4EU-HB003813
Version
Author
Maintainer
Language
MetadataPublished 2021-10-11
Related Molecule
  • methyl 4,5'-dimethoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2397918 chembl
    29449373 surechembl
    3035292 pubchem
    PD143409 probes_and_drugs
    DTXSID00940533 comptox
    Molport-047-898-125 molport
    The data in this table is sourced from UniChem at EBI.