Dataset

Dehydrosalsolidine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301403 contains the MS2 mass spectrum of Dehydrosalsolidine with the InChIkey VASUQTGZAPZKFK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
SMILES COC1=C(OC)C=C2C(C)=NCCC2=C1
InChI Key VASUQTGZAPZKFK-UHFFFAOYSA-N
Molecular Formula C12H15NO2
Exact Mass 205.257 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-RIKEN-PR301403
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL291083 ChEMBL
    ZINC000001667098 ZINC
    DTXSID80197068 EPA CompTox Dashboard
    CB9774005 ChemicalBook
    50014656 BindingDB
    J80.889J Nikkaji
    22652 PubChem
    15291750 PubChem: Thomson Pharma
    4721-98-6 ACToR
    181377 ChEBI
    713957 eMolecules
    MCULE-4253771992 Mcule
    SCHEMBL1148346 SureChEMBL
    20182474 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.