Dataset

FURFURAL; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005200 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-JP005200
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
    ZOGQEU CCDC
    50486229 BindingDB
    91034 Brenda
    DTXSID1020647 EPA CompTox Dashboard
    J3.981K Nikkaji
    MCULE-5757882837 Mcule
    15140934 PubChem: Thomson Pharma
    CHEMBL189362 ChEMBL
    FU2 PDBe
    C14279 KEGG Ligand
    ZINC000003861345 ZINC
    CB9182277 ChemicalBook
    HMDB0032914 Human Metabolome Database
    6118 Brenda
    148305 Brenda
    106107 Brenda
    49066 Brenda
    140092 Brenda
    32223 Brenda
    5969 Brenda
    95728 Brenda
    123759 Brenda
    11498 Brenda
    21604 Brenda
    20597 Brenda
    MTBLC34768 Metabolights
    10008658 NMRShiftDB
    34768 ChEBI
    SCHEMBL20439 SureChEMBL
    7362 PubChem
    DB16856 DrugBank
    DJ1HGI319P FDA SRS
    98-01-1 ACToR
    PD124142 ProbesDrugs
    486493 eMolecules
    The data in this table is sourced from UniChem at EBI.