Dataset

Aflatoxin B2; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+Na]+

This MassBank record with Accession MSBNK-Athens_Univ-AU596334 contains the MS2 mass spectrum of Aflatoxin B2 with the InChIkey WWSYXEZEXMQWHT-UHFFFAOYSA-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
SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1
InChI Key WWSYXEZEXMQWHT-UHFFFAOYSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU596334
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Maintainer
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MetadataPublished 2020-04-11
Related Molecule
  • 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
    23648 PubChem
    15073761 PubChem: Thomson Pharma
    22040-96-6 ACToR
    7220-81-7 ACToR
    181914 ChEBI
    PD048166 ProbesDrugs
    70130218 NMRShiftDB
    31240744 eMolecules
    SCHEMBL621001 SureChEMBL
    HMDB0035208 Human Metabolome Database
    J3.035.013H Nikkaji
    The data in this table is sourced from UniChem at EBI.