Dataset

Aflatoxin M1; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+

This MassBank record with Accession MSBNK-AAFC-AC000049 contains the MS2 mass spectrum of Aflatoxin M1 with the InChIkey MJBWDEQAUQTVKK-IAGOWNOFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1
SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O
InChI Key MJBWDEQAUQTVKK-IAGOWNOFSA-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-AC000049
Version
Author
Maintainer
Language
MetadataPublished 2017-07-07
Related Molecule
  • (3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:78576 chebi
    29352137 surechembl
    15558498 pubchem
    I3020O28I3 fdasrs
    PD133589 probes_and_drugs
    92319 brenda
    HMDB0030479 hmdb
    The data in this table is sourced from UniChem at EBI.