Dataset

BUTYL LAURATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010847 contains the MS mass spectrum of BUTYL LAURATE with the InChIkey NDKYEUQMPZIGFN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
SMILES CCCCCCCCCCCC(=O)OCCCC
InChI Key NDKYEUQMPZIGFN-UHFFFAOYSA-N
Molecular Formula C16H32O2
Exact Mass 256.240 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-JP010847
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • butyl dodecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL81478 SureChEMBL
    61015 PubChem
    60059711 NMRShiftDB
    524746 eMolecules
    106-18-3 ACToR
    15268749 PubChem: Thomson Pharma
    23985OCM4H FDA SRS
    MCULE-4462350535 Mcule
    ZINC000085659450 ZINC
    LMFA07010793 LipidMaps
    DTXSID4059336 EPA CompTox Dashboard
    174365 ChEBI
    J47.574B Nikkaji
    CB7485367 ChemicalBook
    HMDB0032065 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.