Dataset

METHYL NONANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007006 contains the MS mass spectrum of METHYL NONANOATE with the InChIkey IJXHLVMUNBOGRR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
SMILES CCCCCCCCC(=O)OC
InChI Key IJXHLVMUNBOGRR-UHFFFAOYSA-N
Molecular Formula C10H20O2
Exact Mass 172.146 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-JP007006
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl nonanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01631 drugbank
    CHEBI:44499 chebi
    LMFA07010963 lipidmaps
    NON rcsb_pdb
    CHEMBL1234788 chembl
    309872 surechembl
    15606 pubchem
    7XKD6QOH68 fdasrs
    NON pdbe
    PD008905 probes_and_drugs
    BIPJUI CCDC
    126057 brenda
    HMDB0031264 hmdb
    DTXSID8061921 comptox
    Molport-001-787-814 molport
    The data in this table is sourced from UniChem at EBI.