Dataset

Mono(2-ethyl-5-carboxypentyl) adipate; LC-ESI-QTOF; MS2; CE: 60eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116036 contains the MS2 mass spectrum of Mono(2-ethyl-5-carboxypentyl) adipate with the InChIkey GSEREAHHKPORII-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H24O6/c1-2-11(6-5-8-13(17)18)10-20-14(19)9-4-3-7-12(15)16/h11H,2-10H2,1H3,(H,15,16)(H,17,18)
SMILES CCC(CCCC(=O)O)COC(=O)CCCCC(=O)O
InChI Key GSEREAHHKPORII-UHFFFAOYSA-N
Molecular Formula C14H24O6
Exact Mass 288.157 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-Antwerp_Univ-AN116036
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MetadataPublished 2021-08-06
Related Molecule
  • 5-(5-carboxypentanoyloxymethyl)heptanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155898863 PubChem
    The data in this table is sourced from UniChem at EBI.