Dataset

ETHYL ISOBUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002555 contains the MS mass spectrum of ETHYL ISOBUTYRATE with the InChIkey WDAXFOBOLVPGLV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
SMILES CCOC(=O)C(C)C
InChI Key WDAXFOBOLVPGLV-UHFFFAOYSA-N
Molecular Formula C6H12O2
Exact Mass 116.084 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-JP002555
Version
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl 2-methylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL295870 ChEMBL
    J3.222K Nikkaji
    LMFA07010503 LipidMaps
    DTXSID7047728 EPA CompTox Dashboard
    MCULE-7190269066 Mcule
    87303 ChEBI
    30101693 NMRShiftDB
    SCHEMBL80284 SureChEMBL
    MTBLC87303 Metabolights
    HMDB0031248 Human Metabolome Database
    CB8854733 ChemicalBook
    ZINC000000391109 ZINC
    15119809 PubChem: Thomson Pharma
    7342 PubChem
    97-62-1 ACToR
    9A9661LN4H FDA SRS
    491278 eMolecules
    The data in this table is sourced from UniChem at EBI.