Dataset

FURFURAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008700 contains the MS mass spectrum of FURFURAL with the InChIkey HYBBIBNJHNGZAN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
SMILES O=Cc(c1)occ1
InChI Key HYBBIBNJHNGZAN-UHFFFAOYSA-N
Molecular Formula C5H4O2
Exact Mass 96.021 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-JP008700
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • furan-2-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16856 drugbank
    FU2 rcsb_pdb
    CHEMBL189362 chembl
    20439 surechembl
    7362 pubchem
    DJ1HGI319P fdasrs
    CHEBI:34768 rhea
    PD124142 probes_and_drugs
    ZOGQEU CCDC
    106107 brenda
    11498 brenda
    123759 brenda
    140092 brenda
    148305 brenda
    20597 brenda
    21604 brenda
    32223 brenda
    49066 brenda
    5969 brenda
    6118 brenda
    91034 brenda
    95728 brenda
    FU2 - Ideal conformer pdbe
    HMDB0032914 hmdb
    Molport-000-871-210 molport
    50486229 bindingdb
    The data in this table is sourced from UniChem at EBI.