Dataset

2,3-DIMETHYLBUTANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006021 contains the MS mass spectrum of 2,3-DIMETHYLBUTANE with the InChIkey ZFFMLCVRJBZUDZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
SMILES CC(C)C(C)C
InChI Key ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
Molecular Formula C6H14
Exact Mass 86.110 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-JP006021
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2,3-dimethylbutane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6589 PubChem
    68ISQ7A432 FDA SRS
    79-29-8 ACToR
    15041204 PubChem: Thomson Pharma
    504414 eMolecules
    10016358 NMRShiftDB
    SCHEMBL23671 SureChEMBL
    141560 ChEBI
    CB6122117 ChemicalBook
    CHEMBL1344453 ChEMBL
    221539 Brenda
    J4.230G Nikkaji
    QQQFOG CCDC
    ZINC000001615316 ZINC
    HMDB0245401 Human Metabolome Database
    MCULE-7887644548 Mcule
    DTXSID9025112 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.