| SpectraBase Spectrum ID |
HUJjD2NRC90 |
| Name |
Amiodarone-M (N-dealky-HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 648.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H23I2NO5 |
| InChI |
InChI=1S/C23H23I2NO5/c1-2-3-7-19-21(15-6-4-5-8-18(15)31-19)22(29)14-11-16(24)23(17(25)12-14)30-10-9-26-13-20(27)28/h4-6,8,11-12,26H,2-3,7,9-10,13H2,1H3,(H,27,28) |
| InChIKey |
PCAHQKPMJHXXMB-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)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 |
