Dataset

Amiodarone; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU273303 contains the MS2 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 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-Athens_Univ-AU273303
Version
Author
Maintainer
Language
MetadataPublished 2019-05-30
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    Measurement Technique liquid chromatography-mass spectrometry
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    HMDB0015250 hmdb
    DTXSID7022592 comptox
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