Dataset

Aflatoxin G2; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+

This MassBank record with Accession MSBNK-AAFC-AC000041 contains the MS2 mass spectrum of Aflatoxin G2 with the InChIkey WPCVRWVBBXIRMA-WNWIJWBNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O7/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/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
SMILES COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
InChI Key WPCVRWVBBXIRMA-WNWIJWBNSA-N
Molecular Formula C17H14O7
Exact Mass 330.074 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-AC000041
Version
Author
Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C16754 KEGG Ligand
    CB3291098 ChemicalBook
    J9.341F Nikkaji
    HY-N6698 MedChemExpress
    80705 ChEBI
    ZINC000002029390 ZINC
    2MS0D8WA29 FDA SRS
    DTXSID80891796 EPA CompTox Dashboard
    92317 Brenda
    476042 eMolecules
    29371354 eMolecules
    2724362 PubChem
    70004200 NMRShiftDB
    PD041802 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.