| SpectraBase Spectrum ID |
AJqGaAw7N2 |
| Name |
Amiodarone-M (N-oxide) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 662.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C25H29I2NO4 |
| InChI |
InChI=1S/C25H30I2NO4/c1-4-7-11-22-23(18-10-8-9-12-21(18)32-22)24(29)17-15-19(26)25(20(27)16-17)31-14-13-28(30,5-2)6-3/h8-10,12,15-16,30H,4-7,11,13-14H2,1-3H3/q+1 |
| InChIKey |
OHQPRFJACDXALY-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
O[N+](CCOC1=C(C=C(C(C2=C(CCCC)OC3=CC=CC=C23)=O)C=C1I)I)(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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
