Dataset

2-Ethyl-oxo-hexylsalicylate; LC-ESI-QTOF; MS2; CE: 45eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116133 contains the MS2 mass spectrum of 2-Ethyl-oxo-hexylsalicylate with the InChIkey NYIGBVYKJGITTA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H20O4/c1-3-12(9-8-11(2)16)10-19-15(18)13-6-4-5-7-14(13)17/h4-7,12,17H,3,8-10H2,1-2H3
SMILES CCC(CCC(C)=O)COC(=O)c1ccccc1O
InChI Key NYIGBVYKJGITTA-UHFFFAOYSA-N
Molecular Formula C15H20O4
Exact Mass 264.136 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN116133
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MetadataPublished 2021-08-06
Related Molecule
  • (2-ethyl-5-oxohexyl) 2-hydroxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162420301 PubChem
    The data in this table is sourced from UniChem at EBI.