Dataset

10-UNDECENOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005379 contains the MS mass spectrum of 10-UNDECENOIC ACID METHYL ESTER with the InChIkey KISVAASFGZJBCY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
SMILES C=CCCCCCCCCC(=O)OC
InChI Key KISVAASFGZJBCY-UHFFFAOYSA-N
Molecular Formula C12H22O2
Exact Mass 198.162 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-JP005379
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl undec-10-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1591973 ChEMBL
    CB3296417 ChemicalBook
    METHYL UNDECYLENATE rxnorm
    DTXSID5046566 EPA CompTox Dashboard
    ZINC000001591830 ZINC
    J45.865A Nikkaji
    LMFA07010937 LipidMaps
    87493 ChEBI
    MTBLC87493 Metabolights
    HMDB0029585 Human Metabolome Database
    MCULE-5551120975 Mcule
    SCHEMBL196188 SureChEMBL
    8138 PubChem
    60024614 NMRShiftDB
    15120929 PubChem: Thomson Pharma
    111-81-9 ACToR
    RWN4DY6S6T FDA SRS
    479026 eMolecules
    The data in this table is sourced from UniChem at EBI.