Dataset

FURFURAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004917 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-JP004917
Version
Author
Maintainer
Language
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
    HMDB0032914 hmdb
    Molport-000-871-210 molport
    50486229 bindingdb
    The data in this table is sourced from UniChem at EBI.