Dataset

Dehydroabietylamine acetate; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000753 contains the MS2 mass spectrum of Dehydroabietylamine acetate with the InChIkey JVVXZOOGOGPDRZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3
SMILES CC(C)C1C=CC2=C(CCC3C2(C)CCCC3(C)CN)C=1
InChI Key JVVXZOOGOGPDRZ-UHFFFAOYSA-N
Molecular Formula C20H31N
Exact Mass 285.246 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-EPA-ENTACT_AGILENT000753
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MetadataPublished 2023-05-02
Related Molecule
  • (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1738979 chembl
    31682257 surechembl
    4943352 surechembl
    106831 pubchem
    PD029247 probes_and_drugs
    HMDB0244629 hmdb
    Molport-002-648-880 molport
    92342 bindingdb
    The data in this table is sourced from UniChem at EBI.