Dataset

METHYL UNDECANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006545 contains the MS mass spectrum of METHYL UNDECANOATE with the InChIkey XPQPWPZFBULGKT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3
SMILES CCCCCCCCCCC(=O)OC
InChI Key XPQPWPZFBULGKT-UHFFFAOYSA-N
Molecular Formula C12H24O2
Exact Mass 200.178 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-JP006545
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MetadataPublished 2016-01-19
Related Molecule
  • methyl undecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL124223 SureChEMBL
    511091 eMolecules
    15607 PubChem
    15092204 PubChem: Thomson Pharma
    1731-86-8 ACToR
    K67YZ97W6C FDA SRS
    PD124671 ProbesDrugs
    60019141 NMRShiftDB
    CB0450405 ChemicalBook
    MTBLC87527 Metabolights
    MCULE-4524637821 Mcule
    87527 ChEBI
    J99.610F Nikkaji
    BIPKET CCDC
    ZINC000002039284 ZINC
    DTXSID3061922 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.