Dataset

amitriptyline_BTP_M3; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000302 contains the MS2 mass spectrum of amitriptyline_BTP_M3 with the InChIkey PHVGLTMQBUFIQQ-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/h2-5,7-11,20H,6,12-14H2,1H3
SMILES CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI Key PHVGLTMQBUFIQQ-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000302
Version
Author
Maintainer
Language
MetadataPublished 2023-05-03
Related Molecule
  • N-methyl-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
    DB00540 drugbank
    CHEBI:7640 chebi
    21B rcsb_pdb
    CHEMBL445 chembl
    29362430 surechembl
    34527 surechembl
    4543 pubchem
    21B pdbe
    2404 gtopdb
    PD009970 probes_and_drugs
    11504 brenda
    145062 brenda
    145976 brenda
    75635 brenda
    BL03SY4LXB fdasrs
    HMDB0014680 hmdb
    DTXSID9023384 comptox
    NCT00000375 clinicaltrials
    NCT00000378 clinicaltrials
    NCT00004390 clinicaltrials
    NCT00009672 clinicaltrials
    NCT00018148 clinicaltrials
    NCT00021528 clinicaltrials
    NCT00045916 clinicaltrials
    NCT00062738 clinicaltrials
    NCT00066937 clinicaltrials
    NCT00251732 clinicaltrials
    NCT00612807 clinicaltrials
    NCT00660062 clinicaltrials
    NCT00742573 clinicaltrials
    NCT00765895 clinicaltrials
    NCT00796211 clinicaltrials
    NCT01065649 clinicaltrials
    NCT01268709 clinicaltrials
    NCT01305707 clinicaltrials
    NCT02237937 clinicaltrials
    NCT02260388 clinicaltrials
    NCT02374567 clinicaltrials
    NCT02901249 clinicaltrials
    NCT02918097 clinicaltrials
    NCT02960763 clinicaltrials
    NCT03652571 clinicaltrials
    NCT03652870 clinicaltrials
    NCT03844412 clinicaltrials
    NCT04226365 clinicaltrials
    NCT04404439 clinicaltrials
    NCT05531591 clinicaltrials
    NCT05582837 clinicaltrials
    Molport-003-666-245 molport
    1971 drugcentral
    The data in this table is sourced from UniChem at EBI.