Dataset

Aflatoxin G1; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000033 contains the MS2 mass spectrum of Aflatoxin G1 with the InChIkey XWIYFDMXXLINPU-WNWIJWBNSA-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/t8-,17+/m0/s1
SMILES COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1
InChI Key XWIYFDMXXLINPU-WNWIJWBNSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000033
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-1,4,9,11,13(18)-pentaene-17,19-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C16755 KEGG Ligand
    J9.339D Nikkaji
    HY-N6697 MedChemExpress
    66196 Brenda
    80706 ChEBI
    ZINC000002039832 ZINC
    713392 eMolecules
    29371355 eMolecules
    2724361 PubChem
    70004207 NMRShiftDB
    PD044474 ProbesDrugs
    1DB78J7PUD FDA SRS
    The data in this table is sourced from UniChem at EBI.