| SpectraBase Spectrum ID |
kOpKPO1FMv |
| Name |
Amiodarone MS2 |
| CAS Registry Number |
1951-25-3 |
| Comments |
F: ITMS + c ESI d w Full ms2 646.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C25H29I2NO3 |
| 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 |
| InChIKey |
IYIKLHRQXLHMJQ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C(COC1=C(C=C(C=C1I)C(C=1C2=CC=CC=C2OC1CCCC)=O)I)N(CC)CC |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
