Dataset

Aflatoxin G1; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+Na]+

This MassBank record with Accession MSBNK-Athens_Univ-AU596432 contains the MS2 mass spectrum of Aflatoxin G1 with the InChIkey XWIYFDMXXLINPU-UHFFFAOYSA-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
SMILES COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
InChI Key XWIYFDMXXLINPU-UHFFFAOYSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU596432
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MetadataPublished 2020-04-11
Related Molecule
  • 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
    14421 PubChem
    190729 ChEBI
    PD044473 ProbesDrugs
    499352 eMolecules
    1165-39-5 ACToR
    1402-68-2 ACToR
    SCHEMBL50772 SureChEMBL
    76503 NMRShiftDB
    HMDB0030474 Human Metabolome Database
    75600 Brenda
    AFOXBZ CCDC
    DTXSID6040959 EPA CompTox Dashboard
    CB4702106 ChemicalBook
    15347624 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.