Dataset

Amiodarone; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001190 contains the MS mass spectrum of Amiodarone with the InChIkey IYIKLHRQXLHMJQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
SMILES CCCCc(o2)c(c(c3)c(ccc3)2)C(=O)c(c1)cc(I)c(OCCN(CC)CC)c(I)1
InChI Key IYIKLHRQXLHMJQ-UHFFFAOYSA-N
Molecular Formula C25H29I2NO3
Exact Mass 645.024 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-WA001190
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01118 drugbank
    CHEBI:2663 chebi
    BBI rcsb_pdb
    CHEMBL633 chembl
    16284 surechembl
    29361787 surechembl
    2157 pubchem
    N3RQ532IUT fdasrs
    2566 gtopdb
    PD009796 probes_and_drugs
    229155 brenda
    229156 brenda
    266698 brenda
    5758 brenda
    HMDB0015250 hmdb
    Molport-003-703-670 molport
    176 drugcentral
    18957 bindingdb
    The data in this table is sourced from UniChem at EBI.