Dataset

AFLATOXIN B1; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001412 contains the MS mass spectrum of AFLATOXIN B1 with the InChIkey OQIQSTLJSLGHID-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H12O6/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/h4-6,8,17H,2-3H2,1H3
SMILES COc(c1)c(C5=4)c(OC(=O)C(C(=O)CC5)4)c(C32)c(OC(OC=C3)2)1
InChI Key OQIQSTLJSLGHID-UHFFFAOYSA-N
Molecular Formula C17H12O6
Exact Mass 312.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001412
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 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
    LSM-36909 LINCS
    LMPK10000006 LipidMaps
    DTXSID70873006 EPA CompTox Dashboard
    125421 ChEBI
    C06800 KEGG Ligand
    SCHEMBL126479 SureChEMBL
    10016317 NMRShiftDB
    31240740 eMolecules
    14403 PubChem
    1162-65-8 ACToR
    15444712 PubChem: Thomson Pharma
    11003-08-0 ACToR
    PD019703 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.