Dataset

Promethazin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM849001 contains the MS2 mass spectrum of Promethazin with the InChIkey PWWVAXIEGOYWEE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
SMILES CC(CN1C2=C(SC3=C1C=CC=C3)C=CC=C2)N(C)C
InChI Key PWWVAXIEGOYWEE-UHFFFAOYSA-N
Molecular Formula C17H20N2S
Exact Mass 284.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM849001
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MetadataPublished 2016-12-12
Related Molecule
  • N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01069 drugbank
    CHEBI:8461 chebi
    CHEMBL643 chembl
    29372077 surechembl
    4700 surechembl
    4927 pubchem
    FF28EJQ494 fdasrs
    7282 gtopdb
    PD009828 probes_and_drugs
    162812 brenda
    6584 brenda
    HMDB0015202 hmdb
    Molport-001-783-684 molport
    2286 drugcentral
    50017696 bindingdb
    The data in this table is sourced from UniChem at EBI.