Dataset

Amiodarone hydrochloride; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU037802 contains the MS2 mass spectrum of Amiodarone hydrochloride 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 CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=CC=CC=C2O1
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU037802
Version
Author
Maintainer
Language
MetadataPublished 2020-08-19
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
    BBI pdbe
    2566 gtopdb
    PD009796 probes_and_drugs
    229155 brenda
    229156 brenda
    266698 brenda
    5758 brenda
    HMDB0015250 hmdb
    DTXSID7022592 comptox
    NCT00000464 clinicaltrials
    NCT00000531 clinicaltrials
    NCT00000556 clinicaltrials
    NCT00000609 clinicaltrials
    NCT00007605 clinicaltrials
    NCT00121524 clinicaltrials
    NCT00127712 clinicaltrials
    NCT00251706 clinicaltrials
    NCT00257959 clinicaltrials
    NCT00287209 clinicaltrials
    NCT00300495 clinicaltrials
    NCT00340314 clinicaltrials
    NCT00383799 clinicaltrials
    NCT00392106 clinicaltrials
    NCT00420017 clinicaltrials
    NCT00420953 clinicaltrials
    NCT00489736 clinicaltrials
    NCT00540787 clinicaltrials
    NCT00589303 clinicaltrials
    NCT00668759 clinicaltrials
    NCT00724581 clinicaltrials
    NCT00729911 clinicaltrials
    NCT00739193 clinicaltrials
    NCT00784316 clinicaltrials
    NCT00845780 clinicaltrials
    NCT00953212 clinicaltrials
    NCT00993382 clinicaltrials
    NCT01097330 clinicaltrials
    NCT01173809 clinicaltrials
    NCT01181414 clinicaltrials
    NCT01198275 clinicaltrials
    NCT01229254 clinicaltrials
    NCT01341353 clinicaltrials
    NCT01401647 clinicaltrials
    NCT01422148 clinicaltrials
    NCT01461733 clinicaltrials
    NCT01511263 clinicaltrials
    NCT01627106 clinicaltrials
    NCT01709682 clinicaltrials
    NCT01798277 clinicaltrials
    NCT01817439 clinicaltrials
    NCT01850277 clinicaltrials
    NCT01955759 clinicaltrials
    NCT02114528 clinicaltrials
    NCT02132767 clinicaltrials
    NCT02145546 clinicaltrials
    NCT02171026 clinicaltrials
    NCT02303639 clinicaltrials
    NCT02307591 clinicaltrials
    NCT02341105 clinicaltrials
    NCT02668432 clinicaltrials
    NCT02715687 clinicaltrials
    NCT02750319 clinicaltrials
    NCT02830360 clinicaltrials
    NCT02924285 clinicaltrials
    NCT03029169 clinicaltrials
    NCT03153072 clinicaltrials
    NCT03221764 clinicaltrials
    NCT03228823 clinicaltrials
    NCT03432663 clinicaltrials
    NCT03715556 clinicaltrials
    NCT03855826 clinicaltrials
    NCT03868150 clinicaltrials
    NCT03905759 clinicaltrials
    NCT04223739 clinicaltrials
    NCT04234906 clinicaltrials
    NCT04351763 clinicaltrials
    NCT04392921 clinicaltrials
    NCT04748991 clinicaltrials
    NCT04845607 clinicaltrials
    NCT05004077 clinicaltrials
    NCT05169866 clinicaltrials
    NCT05287191 clinicaltrials
    NCT05543278 clinicaltrials
    NCT05549752 clinicaltrials
    NCT05681182 clinicaltrials
    NCT06262932 clinicaltrials
    Molport-003-703-670 molport
    176 drugcentral
    18957 bindingdb
    The data in this table is sourced from UniChem at EBI.