Dataset

N-BENZYL-3-HYDROXYMETHYLPYRROLIDINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002475 contains the MS mass spectrum of N-BENZYL-3-HYDROXYMETHYLPYRROLIDINE with the InChIkey QPQQBJDSKDWQMJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
SMILES OCC(C2)CN(C2)Cc(c1)cccc1
InChI Key QPQQBJDSKDWQMJ-UHFFFAOYSA-N
Molecular Formula C12H17NO
Exact Mass 191.131 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-Fac_Eng_Univ_Tokyo-JP002475
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1-benzylpyrrolidin-3-yl)methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    728630 eMolecules
    CB22129491 ChemicalBook
    5731-17-9 ACToR
    SCHEMBL1386235 SureChEMBL
    J46.939D Nikkaji
    CHEMBL4591769 ChEMBL
    DTXSID90409189 EPA CompTox Dashboard
    CB2194664 ChemicalBook
    5176654 PubChem
    MCULE-8386869532 Mcule
    The data in this table is sourced from UniChem at EBI.