Dataset

BUTANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009301 contains the MS mass spectrum of BUTANE with the InChIkey IJDNQMDRQITEOD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
SMILES CCCC
InChI Key IJDNQMDRQITEOD-UHFFFAOYSA-N
Molecular Formula C4H10
Exact Mass 58.078 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-JP009301
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • butane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    BUT rcsb_pdb
    NBU rcsb_pdb
    SBU rcsb_pdb
    CHEMBL134702 chembl
    3593 surechembl
    7843 pubchem
    6LV4FOR43R fdasrs
    CHEBI:37808 rhea
    DB03689 drugbank
    PD120066 probes_and_drugs
    DUCKOB CCDC
    13739 brenda
    15670 brenda
    225434 brenda
    NBU - Ideal conformer pdbe
    The data in this table is sourced from UniChem at EBI.