Dataset

Aflatoxin B2; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+

This MassBank record with Accession MSBNK-AAFC-AC000031 contains the MS2 mass spectrum of Aflatoxin B2 with the InChIkey WWSYXEZEXMQWHT-WNWIJWBNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
InChI Key WWSYXEZEXMQWHT-WNWIJWBNSA-N
Molecular Formula C17H14O6
Exact Mass 314.079 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-AC000031
Version
Author
Maintainer
Language
MetadataPublished 2017-07-07
Related Molecule
  • (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:48209 chebi
    14424508 surechembl
    2724360 pubchem
    PD133555 probes_and_drugs
    DIHATO CCDC
    29709 brenda
    7SKR7S646P fdasrs
    The data in this table is sourced from UniChem at EBI.