| SpectraBase Spectrum ID |
5KBykg8CmG |
| Name |
Amiodarone-M (N-dealky-aldehyde-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 631.98 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H23I2NO4 |
| InChI |
InChI=1S/C23H23I2NO4/c1-2-3-7-20-21(16-6-4-5-8-19(16)30-20)22(28)15-13-17(24)23(18(25)14-15)29-12-10-26-9-11-27/h4-6,8,11,13-14,26H,2-3,7,9-10,12H2,1H3 |
| InChIKey |
CEJJOXAQELYJON-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCOC1=C(C=C(C(C2=C(CCCC)OC=3C2=CC=CC3)=O)C=C1I)I)CC=O |
| 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 |
