Dataset

Patulin; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-HBM4EU-HB004024 contains the MS2 mass spectrum of Patulin with the InChIkey ZRWPUFFVAOMMNM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
SMILES C1C=C2C(=CC(=O)O2)C(O1)O
InChI Key ZRWPUFFVAOMMNM-UHFFFAOYSA-N
Molecular Formula C7H6O4
Exact Mass 154.027 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-HBM4EU-HB004024
Version
Author
Maintainer
Language
MetadataPublished 2021-10-11
Related Molecule
  • 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15586 drugbank
    CHEBI:74926 chebi
    CHEMBL294018 chembl
    29056 surechembl
    4696 pubchem
    95X2BV4W8R fdasrs
    PD019336 probes_and_drugs
    213005 brenda
    HMDB0034299 hmdb
    50576836 bindingdb
    50827802 bindingdb
    Molport-003-665-945 molport
    The data in this table is sourced from UniChem at EBI.