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
Version
Author
Maintainer
Language
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
    SCHEMBL891453 SureChEMBL
    7492-70-8 ACToR
    80004429 NMRShiftDB
    MTBLC168668 Metabolights
    168668 ChEBI
    OCR0ONT89C FDA SRS
    BUTYL BUTYRYLLACTATE rxnorm
    J60.797E Nikkaji
    HMDB0037137 Human Metabolome Database
    LMFA07010792 LipidMaps
    DTXSID3044831 EPA CompTox Dashboard
    595581 eMolecules
    CB5173617 ChemicalBook
    MCULE-3834479165 Mcule
    24114 PubChem
    The data in this table is sourced from UniChem at EBI.