Dataset

Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO003760 contains the MS2 mass spectrum of Pseudopelletierine with the InChIkey RHWSKVCZXBAWLZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
SMILES O=C(C1)CC(C2)N(C)C(CC2)1
InChI Key RHWSKVCZXBAWLZ-UHFFFAOYSA-N
Molecular Formula C9H15NO
Exact Mass 153.115 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO003760
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11096 PubChem
    SCHEMBL551145 SureChEMBL
    CHEMBL2219893 ChEMBL
    LSM-1370 LINCS
    552-70-5 ACToR
    PD053436 ProbesDrugs
    29541937 eMolecules
    CB0243920 ChemicalBook
    HMDB0034580 Human Metabolome Database
    C10865 KEGG Ligand
    J14.215H Nikkaji
    60001976 NMRShiftDB
    MCULE-4596962992 Mcule
    The data in this table is sourced from UniChem at EBI.