Dataset

Sertraline; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000294 contains the MS mass spectrum of Sertraline with the InChIkey VGKDLMBJGBXTGI-SJCJKPOMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
SMILES CNC(C2)c(c3)c(ccc3)C(C2)c(c1)cc(Cl)c(Cl)c1
InChI Key VGKDLMBJGBXTGI-SJCJKPOMSA-N
Molecular Formula C17H17Cl2N
Exact Mass 305.074 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000294
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MetadataPublished 2016-01-19
Related Molecule
  • (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.