Dataset

DIMETHYL SEBACATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006040 contains the MS mass spectrum of DIMETHYL SEBACATE with the InChIkey ALOUNLDAKADEEB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
SMILES COC(=O)CCCCCCCCC(=O)OC
InChI Key ALOUNLDAKADEEB-UHFFFAOYSA-N
Molecular Formula C12H22O4
Exact Mass 230.152 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-JP006040
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • dimethyl decanedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB7852686 ChemicalBook
    7829 PubChem
    489616 eMolecules
    14770224 PubChem: Thomson Pharma
    G87745M355 FDA SRS
    106-79-6 ACToR
    194205 ChEBI
    60072680 NMRShiftDB
    MTBLC194205 Metabolights
    DTXSID1026740 EPA CompTox Dashboard
    CHEMBL3186083 ChEMBL
    ZINC000001699974 ZINC
    DIMETHYL SEBACATE rxnorm
    J3.246H Nikkaji
    MCULE-8633671524 Mcule
    SCHEMBL35275 SureChEMBL
    The data in this table is sourced from UniChem at EBI.