Dataset

Protriptyline; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000281 contains the MS mass spectrum of Protriptyline with the InChIkey BWPIARFWQZKAIA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
SMILES CNCCCC(c21)c(c3)c(ccc3)C=Cc(cccc2)1
InChI Key BWPIARFWQZKAIA-UHFFFAOYSA-N
Molecular Formula C19H21N
Exact Mass 263.167 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000281
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0014488 Human Metabolome Database
    66192 Brenda
    CB0774981 ChemicalBook
    protriptyline DailyMed
    4976 PubChem
    PD010089 ProbesDrugs
    4NDU154T12 FDA SRS
    LSM-2936 LINCS
    SCHEMBL34267 SureChEMBL
    PA451168 PharmGKB
    15221639 PubChem: Thomson Pharma
    438-60-8 ACToR
    50176062 BindingDB
    PROTRIPTYLINE DailyMed
    PROTRIPTYLINE rxnorm
    PROTRIPTYLINE HYDROCHLORIDE rxnorm
    PROTRIPTYLINE HYDROCHLORIDE clinicaltrials
    J5.739H Nikkaji
    PROTRIPTYLINE clinicaltrials
    MCULE-6023848462 Mcule
    2320 DrugCentral
    ZINC000001530764 ZINC
    7285 Guide to Pharmacology
    VIVACTIL clinicaltrials
    DTXSID0023535 EPA CompTox Dashboard
    CHEMBL668 ChEMBL
    8597 ChEBI
    C07408 KEGG Ligand
    DB00344 DrugBank
    The data in this table is sourced from UniChem at EBI.