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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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
    16626667 PubChem: Thomson Pharma
    SCHEMBL337395 SureChEMBL
    166412-78-8 ACToR
    11524680 PubChem
    H26MNT7GT7 FDA SRS
    CHEMBL3182578 ChEMBL
    HMDB0244746 Human Metabolome Database
    CB93036812 ChemicalBook
    DTXSID20274044 EPA CompTox Dashboard
    J2.003.784I Nikkaji
    The data in this table is sourced from UniChem at EBI.