Dataset

Trazodone; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU227102 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-AU227102
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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
    CHEMBL621 ChEMBL
    9654 ChEBI
    213 Guide to Pharmacology
    C07156 KEGG Ligand
    ZEXPAW CCDC
    J10.767K Nikkaji
    TRAZODONE DailyMed
    ZINC000000538483 ZINC
    2717 DrugCentral
    TRAZODONE HYDROCHLORIDE rxnorm
    DTXSID5045043 EPA CompTox Dashboard
    DESYREL clinicaltrials
    TRITTICO clinicaltrials
    AF-1161 clinicaltrials
    OLEPTRO rxnorm
    TRAZODONE clinicaltrials
    TRAZODONE HYDROCHLORIDE clinicaltrials
    TRAZODONE rxnorm
    50073444 BindingDB
    217378 Brenda
    5533 PubChem
    PD009868 ProbesDrugs
    YBK48BXK30 FDA SRS
    LSM-3580 LINCS
    14828880 PubChem: Thomson Pharma
    SCHEMBL28167 SureChEMBL
    PA451744 PharmGKB
    19794-93-5 ACToR
    trazodone DailyMed
    145088 Brenda
    146002 Brenda
    HMDB0014794 Human Metabolome Database
    CB3727463 ChemicalBook
    MCULE-8110542411 Mcule
    The data in this table is sourced from UniChem at EBI.