Dataset

4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDRO PYRIDINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011630 contains the MS mass spectrum of 4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDRO PYRIDINE with the InChIkey SXOMHACGFSJBIO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
SMILES Clc(c2)ccc(c2)C(C1)=CCNC1
InChI Key SXOMHACGFSJBIO-UHFFFAOYSA-N
Molecular Formula C11H12ClN
Exact Mass 193.066 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-JP011630
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Author
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MetadataPublished 2016-01-19
Related Molecule
  • 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    49798 Brenda
    MCULE-4282465178 Mcule
    SCHEMBL531984 SureChEMBL
    185717 PubChem
    14968699 PubChem: Thomson Pharma
    30005-58-4 ACToR
    VPW PDBe
    ZINC000000155174 ZINC
    50036712 BindingDB
    J32.660G Nikkaji
    CHEMBL101664 ChEMBL
    The data in this table is sourced from UniChem at EBI.