Dataset

Amitriptyline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA282111 contains the MS2 mass spectrum of Amitriptyline with the InChIkey KRMDCWKBEZIMAB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
SMILES C1(\c2c(CCc3c1cccc3)cccc2)=C\CCN(C)C
InChI Key KRMDCWKBEZIMAB-UHFFFAOYSA-N
Molecular Formula C20H23N
Exact Mass 277.183 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-Eawag-EA282111
Version
Author
Maintainer
Language
MetadataPublished 2014-01-14
Related Molecule
  • N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00321 drugbank
    CHEBI:2666 chebi
    TP0 rcsb_pdb
    CHEMBL629 chembl
    29359365 surechembl
    7824 surechembl
    2160 pubchem
    1806D8D52K fdasrs
    200 gtopdb
    PD010103 probes_and_drugs
    MEJHAN CCDC
    211300 brenda
    24403 brenda
    4978 brenda
    HMDB0014466 hmdb
    1432587 bindingdb
    50042278 bindingdb
    50042279 bindingdb
    50292536 bindingdb
    50292537 bindingdb
    50292538 bindingdb
    50292539 bindingdb
    50292540 bindingdb
    50292541 bindingdb
    50339126 bindingdb
    50339233 bindingdb
    50339344 bindingdb
    50339515 bindingdb
    50371097 bindingdb
    50377950 bindingdb
    50609304 bindingdb
    50738892 bindingdb
    50739464 bindingdb
    50774106 bindingdb
    50775138 bindingdb
    50775525 bindingdb
    50776812 bindingdb
    50790386 bindingdb
    50790387 bindingdb
    50790393 bindingdb
    50806691 bindingdb
    50876959 bindingdb
    50881678 bindingdb
    50881692 bindingdb
    50881706 bindingdb
    50881719 bindingdb
    50881733 bindingdb
    50881747 bindingdb
    50964072 bindingdb
    50964119 bindingdb
    50964155 bindingdb
    50964219 bindingdb
    50999966 bindingdb
    51006481 bindingdb
    51011004 bindingdb
    51020546 bindingdb
    51033615 bindingdb
    51113927 bindingdb
    51301040 bindingdb
    51301044 bindingdb
    51302061 bindingdb
    51302075 bindingdb
    51313550 bindingdb
    51313577 bindingdb
    51453487 bindingdb
    51460008 bindingdb
    51495405 bindingdb
    51503928 bindingdb
    51557427 bindingdb
    Molport-001-662-651 molport
    180 drugcentral
    The data in this table is sourced from UniChem at EBI.