Dataset

Citrinin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA000949 contains the MS2 mass spectrum of Citrinin with the InChIkey CQIUKKVOEOPUDV-IYSWYEEDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
SMILES C[C@H]1OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@@H]1C
InChI Key CQIUKKVOEOPUDV-IYSWYEEDSA-N
Molecular Formula C13H14O5
Exact Mass 250.084 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-NaToxAq-NA000949
Version
Author
Maintainer
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MetadataPublished 2019-07-31
Related Molecule
  • nfdi4chem-mol4672(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:48707 chebi
    CHEMBL510139 chembl
    157775 surechembl
    3S697X6SNZ fdasrs
    PD002155 probes_and_drugs
    KOSLOW CCDC
    HMDB0041857 hmdb
    DTXSID8020333 comptox
    Molport-003-665-574 molport
    The data in this table is sourced from UniChem at EBI.