Dataset

Chlorprothixene; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01165107 contains the MS2 mass spectrum of Chlorprothixene with the InChIkey WSPOMRSOLSGNFJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3
SMILES CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI Key WSPOMRSOLSGNFJ-UHFFFAOYSA-N
Molecular Formula C18H18ClNS
Exact Mass 315.085 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-Eawag-EQ01165107
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MetadataPublished 2024-01-16
Related Molecule
  • 3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:3651 chebi
    30383335 surechembl
    94236 surechembl
    2729 pubchem
    11976 gtopdb
    PD009945 probes_and_drugs
    CMAPTX CCDC
    HMDB0015369 hmdb
    Molport-006-167-748 molport
    The data in this table is sourced from UniChem at EBI.