Dataset

Norsertraline; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU156601 contains the MS2 mass spectrum of Norsertraline with the InChIkey SRPXSILJHWNFMK-ZBEGNZNMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1
SMILES N[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12
InChI Key SRPXSILJHWNFMK-ZBEGNZNMSA-N
Molecular Formula C16H15Cl2N
Exact Mass 291.058 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-Athens_Univ-AU156601
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MetadataPublished 2015-12-07
Related Molecule
  • (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL40733 ChEMBL
    DTXSID60236666 EPA CompTox Dashboard
    50028066 BindingDB
    50367182 BindingDB
    J258.553G Nikkaji
    114743 PubChem
    PD085666 ProbesDrugs
    SCHEMBL145234 SureChEMBL
    87857-41-8 ACToR
    93866-15-0 ACToR
    14998135 PubChem: Thomson Pharma
    CJJ71O9BE8 FDA SRS
    ZINC000006117444 ZINC
    168370 Brenda
    DB14071 DrugBank
    The data in this table is sourced from UniChem at EBI.