Dataset

AFLATOXINE G1; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001414 contains the MS mass spectrum of AFLATOXINE G1 with the InChIkey XWIYFDMXXLINPU-WNWIJWBNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1
SMILES COc(c3)c(C5=4)c(OC(=O)C(C(=O)OCC5)4)c(c31)C([H])(C([H])=2)C([H])(OC([H])2)O1
InChI Key XWIYFDMXXLINPU-WNWIJWBNSA-N
Molecular Formula C17H12O7
Exact Mass 328.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001414
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:80706 chebi
    30033538 surechembl
    2724361 pubchem
    1DB78J7PUD fdasrs
    PD044474 probes_and_drugs
    66196 brenda
    Molport-004-963-474 molport
    The data in this table is sourced from UniChem at EBI.