Dataset

Dehydroabietylamine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00353 contains the MS2 mass spectrum of Dehydroabietylamine 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)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00353
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MetadataPublished 2016-01-19
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
    SCHEMBL4943352 SureChEMBL
    MCULE-3872988917 Mcule
    1446-61-3 ACToR
    14775562 PubChem: Thomson Pharma
    106831 PubChem
    PD029247 ProbesDrugs
    2026-24-6 ACToR
    24978-68-5 ACToR
    3219426 eMolecules
    CHEMBL1738979 ChEMBL
    HMDB0244629 Human Metabolome Database
    92342 BindingDB
    J1.112.566B Nikkaji
    The data in this table is sourced from UniChem at EBI.