Dataset

Aflatoxin B2; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000028 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-AC000028
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Author
Maintainer
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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
    48209 Rhea
    29709 Brenda
    MTBLC48209 Metabolights
    SCHEMBL14424508 SureChEMBL
    7SKR7S646P FDA SRS
    16892239 PubChem: Thomson Pharma
    16690201 PubChem: Thomson Pharma
    48209 ChEBI
    70004184 NMRShiftDB
    PD133555 ProbesDrugs
    2724360 PubChem
    29371357 eMolecules
    476040 eMolecules
    C16753 KEGG Ligand
    J37.504G Nikkaji
    ZINC000000402720 ZINC
    DTXSID70222535 EPA CompTox Dashboard
    DIHATO CCDC
    CB0236746 ChemicalBook
    The data in this table is sourced from UniChem at EBI.