Dataset

Methyl n-octanoate; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU504107 contains the MS2 mass spectrum of Methyl n-octanoate with the InChIkey JGHZJRVDZXSNKQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
SMILES CCCCCCCC(=O)OC
InChI Key JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Molecular Formula C9H18O2
Exact Mass 158.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU504107
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MetadataPublished 2021-04-20
Related Molecule
  • methyl octanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.