Dataset

DINCH; LC-ESI-QTOF; MS2; CE: Ramp 24.1-36.2 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU252406 contains the MS2 mass spectrum of DINCH with the InChIkey HORIEOQXBKUKGQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H48O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h21-24H,5-20H2,1-4H3
SMILES CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
InChI Key HORIEOQXBKUKGQ-UHFFFAOYSA-N
Molecular Formula C26H48O4
Exact Mass 424.355 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-AU252406
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Maintainer
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MetadataPublished 2019-04-08
Related Molecule
  • bis(7-methyloctyl) cyclohexane-1,2-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3182578 chembl
    337395 surechembl
    11524680 pubchem
    H26MNT7GT7 fdasrs
    HMDB0244746 hmdb
    Molport-023-332-745 molport
    The data in this table is sourced from UniChem at EBI.