Dataset

Butyl lactate

This MassBank record with Accession MSBNK-Athens_Univ-AU501910 contains the MS2 mass spectrum of Butyl lactate with the InChIkey MRABAEUHTLLEML-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
SMILES CCCCOC(=O)C(C)O
InChI Key MRABAEUHTLLEML-UHFFFAOYSA-N
Molecular Formula C7H14O3
Exact Mass 146.094 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU501910
Version
Author
Maintainer
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MetadataPublished 2021-04-20
Related Molecule
  • butyl 2-hydroxypropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138-22-7 ACToR
    15146787 PubChem: Thomson Pharma
    126872-21-7 ACToR
    494570 eMolecules
    20201353 NMRShiftDB
    SCHEMBL26742 SureChEMBL
    HMDB0040254 Human Metabolome Database
    J39.933G Nikkaji
    CHEMBL3183988 ChEMBL
    N-BUTYL LACTATE rxnorm
    169137 ChEBI
    MCULE-5462693192 Mcule
    DTXSID7042196 EPA CompTox Dashboard
    0UI63W814U FDA SRS
    CB6725248 ChemicalBook
    8738 PubChem
    The data in this table is sourced from UniChem at EBI.