Dataset

Promethazine; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311096002 contains the MS2 mass spectrum of Promethazine 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(CN1c2ccccc2Sc3c1cccc3)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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311096002
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
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
    DTXSID7023518 comptox
    NCT00270777 clinicaltrials
    NCT00429832 clinicaltrials
    NCT00455234 clinicaltrials
    NCT00861523 clinicaltrials
    NCT00937924 clinicaltrials
    NCT01118884 clinicaltrials
    NCT01129934 clinicaltrials
    NCT01474915 clinicaltrials
    NCT01644838 clinicaltrials
    NCT01780428 clinicaltrials
    NCT01814189 clinicaltrials
    NCT01827293 clinicaltrials
    NCT01846455 clinicaltrials
    NCT02130622 clinicaltrials
    NCT02136420 clinicaltrials
    NCT02374567 clinicaltrials
    NCT02462811 clinicaltrials
    NCT02635828 clinicaltrials
    NCT02765256 clinicaltrials
    NCT03639558 clinicaltrials
    NCT03639558 clinicaltrials
    NCT04805073 clinicaltrials
    NCT05586763 clinicaltrials
    NCT05852730 clinicaltrials
    Molport-001-783-684 molport
    2286 drugcentral
    50017696 bindingdb
    The data in this table is sourced from UniChem at EBI.