Dataset

N-BUTANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001572 contains the MS mass spectrum of N-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-JP001572
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
    7843 PubChem
    PD120066 ProbesDrugs
    6LV4FOR43R FDA SRS
    15264702 PubChem: Thomson Pharma
    68514-31-8 ACToR
    68475-59-2 ACToR
    106-97-8 ACToR
    68476-42-6 ACToR
    486805 eMolecules
    ZINC000008214510 ZINC
    15670 Brenda
    13739 Brenda
    SCHEMBL3593 SureChEMBL
    37808 ChEBI
    21288 NMRShiftDB
    DUCKOB CCDC
    J4.041J Nikkaji
    DTXSID7024665 EPA CompTox Dashboard
    R 600 clinicaltrials
    BUTANE clinicaltrials
    225434 Brenda
    BUTANE rxnorm
    37808 Rhea
    CB6152626 ChemicalBook
    NBU PDBe
    CHEMBL134702 ChEMBL
    The data in this table is sourced from UniChem at EBI.