Dataset

BUTYL BUTYRYLLACTATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007969 contains the MS mass spectrum of BUTYL BUTYRYLLACTATE with the InChIkey NORZZKKLCYMBBF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3
SMILES CCCCOC(=O)C(C)OC(=O)CCC
InChI Key NORZZKKLCYMBBF-UHFFFAOYSA-N
Molecular Formula C11H20O4
Exact Mass 216.136 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-JP007969
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MetadataPublished 2016-01-19
Related Molecule
  • (1-butoxy-1-oxopropan-2-yl) butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:168668 chebi
    LMFA07010792 lipidmaps
    891453 surechembl
    24114 pubchem
    OCR0ONT89C fdasrs
    HMDB0037137 hmdb
    Molport-003-910-115 molport
    The data in this table is sourced from UniChem at EBI.