Dataset

ISOBUTYL 3-(2-FURYL)PROPIONATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006490 contains the MS mass spectrum of ISOBUTYL 3-(2-FURYL)PROPIONATE with the InChIkey SVDPTFHRRNUNRS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
SMILES CC(C)COC(=O)CCc(c1)occ1
InChI Key SVDPTFHRRNUNRS-UHFFFAOYSA-N
Molecular Formula C11H16O3
Exact Mass 196.110 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-JP006490
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MetadataPublished 2016-01-19
Related Molecule
  • 2-methylpropyl 3-(furan-2-yl)propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10169345 eMolecules
    7733 PubChem
    VTW5O0BY7T FDA SRS
    SCHEMBL872744 SureChEMBL
    105-01-1 ACToR
    ZINC000002041131 ZINC
    LMFA07010915 LipidMaps
    DTXSID4051532 EPA CompTox Dashboard
    169336 ChEBI
    CB5300709 ChemicalBook
    J69.816D Nikkaji
    HMDB0037734 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.