Dataset

Trazodone; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU227103 contains the MS2 mass spectrum of Trazodone with the InChIkey PHLBKPHSAVXXEF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
SMILES c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4cccc(c4)Cl
InChI Key PHLBKPHSAVXXEF-UHFFFAOYSA-N
Molecular Formula C19H22ClN5O
Exact Mass 371.151 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-Athens_Univ-AU227103
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MetadataPublished 2018-12-19
Related Molecule
  • 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00656 drugbank
    CHEBI:9654 chebi
    CHEMBL621 chembl
    28167 surechembl
    29390760 surechembl
    5533 pubchem
    213 gtopdb
    PD009868 probes_and_drugs
    ZEXPAW CCDC
    145088 brenda
    146002 brenda
    217378 brenda
    YBK48BXK30 fdasrs
    HMDB0014794 hmdb
    Molport-003-850-601 molport
    2717 drugcentral
    50073444 bindingdb
    The data in this table is sourced from UniChem at EBI.