Dataset

D617; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU204502 contains the MS2 mass spectrum of D617 with the InChIkey WLOBUUJURNEQCL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3
SMILES CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(OC)C=C1
InChI Key WLOBUUJURNEQCL-UHFFFAOYSA-N
Molecular Formula C17H26N2O2
Exact Mass 290.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU204502
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Author
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MetadataPublished 2015-12-05
Related Molecule
  • 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83528 chebi
    CHEMBL1743342 chembl
    6387741 surechembl
    93168 pubchem
    L49D7PR96D fdasrs
    HMDB0013962 hmdb
    50418097 bindingdb
    The data in this table is sourced from UniChem at EBI.