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 pdbe
    DTXSID7024665 comptox
    NCT01864083 clinicaltrials
    NCT01900171 clinicaltrials
    NCT01900184 clinicaltrials
    FDB000759 foodb
    The data in this table is sourced from UniChem at EBI.